1-methyl-2-pyrrolidone
fo-d731bfc652cc4ffb
Identity
- Type
- Neutral molecule
- CAS
- 872-50-4
- EC
- 212-828-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
26- 1-Methyl-2-pyrrolidinone
- 1-Methyl-5-pyrrolidinone
- 1-methylazacyclopentan-2-one
- 1-methylpyrrolidin-2-one
- 2-Pyrrolidinone, 1-methyl-
- 2-Pyrrolidone, 1-methyl-
- AgsolEx 1
- M-Pyrol
- N-Methyl-2-ketopyrrolidine
- N-Methyl-2-pyrrolidinone
- N-Methyl-2-pyrrolidone
- N-methyl-alpha-pyrrolidinone
- N-methyl-alpha-pyrrolidone
- N-methyl-gamma-butyrolactam
- N-Methyl-α-pyrrolidinone
- N-Methyl-α-pyrrolidone
- N-Methyl-γ-butyrolactam
- N-Methylbutyrolactam
- N-Methylpyrrolidine-2-one
- N-Methylpyrrolidinone
- N-Methylpyrrolidone
- N-Nmethylpyrrolidone
- N1-Methylpyrrolidin-2-one
- NMP
- Pharmasolve
- Pyrol M
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SECXISVLQFMRJM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 1-methyl-2-pyrrolidone |
| Molecular formula chemrof:molecular_formula | C5H9NO |
| Molecular mass chemrof:molecular_mass | 99.133 |
| Monoisotopic mass chemrof:monoisotopic_mass | 99.06841, 99.068414 |
| SMILES string chemrof:smiles_string | CN1CCCC1=O |
Known URLs
29Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26876-92-6 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=51013-18-4 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=872-50-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7307 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.011.662 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0513 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6020856 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB12521 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4594 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL12543 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:2693 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JR9CE63FPM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.033I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11118 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11118 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53310 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77542 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:MB3 | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/1J26YYS6USMK | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL12543 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1643 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13387 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23337464 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24446970 | enrich_references.chebi_xrefs |
| reaxys | reaxys:106420 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1305552 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q33103 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Methyl-2-pyrrolidone | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 172ada0b-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a786-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| d241de2a-72b1-483e-8117-687a9609bcb3 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a785-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a787-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a784-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 172ada09-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 172ada0c-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 172ada0e-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 172b00f0-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 172ada0d-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 172ada0a-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 172ada0f-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works