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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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).