3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione

1,2,3,6-Tetrahydrophthalimide
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
2,3,3a,4,7,7a-Hexahydro-1H-isoindole-1,3-dione
3-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindol-1-one
3a,4,7,7a-Tetrahydroisoindole-1,3-dione
4-Cyclohexene-1,2-dicarboximide
Tetrahydrophthalic acid imide
Tetrahydrophthalimide
THPI
Δ4-Tetrahydrophthalimide

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CIFFBTOJCKSRJY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
IUPAC name chemrof:IUPAC_name	3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
Molecular formula chemrof:molecular_formula	C8H9NO2
Molecular mass chemrof:molecular_mass	151.165
Monoisotopic mass chemrof:monoisotopic_mass	151.063329
SMILES string chemrof:smiles_string	O=C1NC(=O)C2CC=CCC12

Where 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=85-40-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.457	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8026513	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59011	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187796	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0033903	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.757E	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46269	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6808	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q21045269	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e4ff025d-4317-4e4e-b1eb-d6a4424b320a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
92f736d3-ca86-4c7f-82bd-e95e4d71887f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
1b2f97b8-ce37-4c03-8d42-723bab4bd5a2	Environmental → Air → Indoor	EF 3.1	kg	2
a7a5be7e-3ee1-46ef-9dce-2a036d22fced	Environmental → Air → Long-term	EF 3.1	kg	0
230bb3b4-fe5f-4491-8a88-22a7ef327d6e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f09fcd6e-921f-4598-ae0d-685bb1076b3b	Environmental → Air → Unknown	EF 3.1	kg	2
84e077eb-1df4-4ffc-8ca7-64a8ed92df52	Environmental → Ground → Agricultural	EF 3.1	kg	2
8641cdf1-afcb-4802-be80-033bfa67bab5	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
425c0022-f3f1-46ab-81fe-719b105a8e2b	Environmental → Ground → Unknown	EF 3.1	kg	2
2ce51758-ebc0-4a01-abce-8c5342fe76fb	Environmental → Water → Long-term	EF 3.1	kg	0
1bacf65d-bf4b-4585-a072-e637c6094353	Environmental → Water → Ocean	EF 3.1	kg	2
66da36f2-9235-4f04-ba49-46192df9a788	Environmental → Water → Surface water	EF 3.1	kg	2
f7153e34-c957-4e64-821f-5bdbb991591e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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