1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione

C9H7NO2 — CID 100972949

IUPAC1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1C=CC=C1
InChIInChI=1S/C9H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h1-7H
InChIKeyHESHASGJJLSPGZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.41
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione

1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione (PubChem CID 100972949) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione
PubChem CID100972949
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1C=CC=C1
InChIInChI=1S/C9H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h1-7H
InChIKeyHESHASGJJLSPGZ-UHFFFAOYSA-N
XLogP0.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-methyl-2H-pyrrol-5-one
CID 59066424
1-(2-Cyclopenta-1,4-dien-1-ylethyl)pyrrole-2,5-dione
CID 89104373
1-Cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione
CID 89404897
1-[1-(Cyclooctatetraenyl)ethyl]pyrrole-2,5-dione
CID 124013835
3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 126538655
N-cyclopenta-2,4-dien-1-yl-N-[(E)-4-[cyclopenta-2,4-dien-1-yl(prop-2-enoyl)amino]but-2-enyl]prop-2-enamide
CID 132162187
N,N-di(cyclopenta-2,4-dien-1-yl)prop-2-enamide
CID 141626311
1-Cyclopent-3-en-1-yl-3,4-bis(ethenyl)pyrrole-2,5-dione
CID 142338337
(2E,4Z,6Z)-N-acetyl-N-[(2R)-but-3-en-2-yl]nona-2,4,6-trienamide
CID 143083477
1-(4-Methylcyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
CID 145085799
1,2-dimethyl-2H-azepin-7-one
CID 154398037
3-methyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 155229594

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione (CID 100972949) is 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione?
The InChIKey is HESHASGJJLSPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-6-9(12)10(8)7-3-1-2-4-7/h1-7H.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione?
1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione has a molecular weight of 161.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 100972949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).