Pyrrole
fo-1412ec8f4abddb8f
Identity
- Type
- Neutral molecule
- CAS
- 109-97-7
- EC
- 203-724-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 1-aza-2,4-cyclopentadiene
- 1H-pyrrole
- Azole
- divinyleneimine
- divinylenimine
- imidole
- monopyrrole
- Pyrrol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KAESVJOAVNADME-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H |
| IUPAC name chemrof:IUPAC_name | Pyrrole |
| Molecular formula chemrof:molecular_formula | C4H5N |
| Molecular mass chemrof:molecular_mass | 67.091 |
| Monoisotopic mass chemrof:monoisotopic_mass | 67.042199, 67.0422 |
| SMILES string chemrof:smiles_string | c1cc[nH]c1 |
Known URLs
24Where 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 |
|---|---|---|
| beilstein | beilstein:1159 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=101359-25-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=107760-17-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=109-97-7 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=30604-81-0 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:19203 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.387 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5021910 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62777 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72470 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16225 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/pyrrole | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1705 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/86S1ZD6L2C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0035924 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J371I | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C19907 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47124 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL16225 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8027 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1556177 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2917974 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q242627 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Pyrrole | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 636d9f49-a93b-463e-9edd-9c4aa54d6df3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 012345be-dfc4-4501-b6f3-f20a095fdd69 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a7e07b6d-aabd-4be9-9b90-91ce023d58d8 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| ff6bf716-0def-4bcc-b0d0-ade4fdc98a9f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ccad90f6-9654-43b7-aff6-3ffc0351847d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d76a1fa7-e75b-492c-ab50-719465e3d3c2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 0c287c48-8160-4589-b45a-c5f398134009 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c920cd51-d879-40f3-8624-8da1b690239e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2e769adf-daa5-4cf9-ae4f-5484d5804c35 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ceb808b9-1ce1-4221-a6bf-1e481e153e83 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fb3f0004-9012-4811-96ee-af3ec7b4a042 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6d3713cc-6cc0-4798-81e4-a772f46640b0 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 5fb67f02-789c-45f7-b12d-afa16583395c | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 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