3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione

C9H7NO2 — CID 90459869

IUPAC3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(C2=CC=CC2)C(=O)N1
InChIInChI=1S/C9H7NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h1-3,5H,4H2,(H,10,11,12)
InChIKeyLIRASPYPJHZRHG-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.46
Rot. Bonds1

About 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione

3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione (PubChem CID 90459869) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione
PubChem CID90459869
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(C2=CC=CC2)C(=O)N1
InChIInChI=1S/C9H7NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h1-3,5H,4H2,(H,10,11,12)
InChIKeyLIRASPYPJHZRHG-UHFFFAOYSA-N
XLogP0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
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 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione (CID 90459869) is 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione is O=C1C=C(C2=CC=CC2)C(=O)N1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione?
The InChIKey is LIRASPYPJHZRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-7(9(12)10-8)6-3-1-2-4-6/h1-3,5H,4H2,(H,10,11,12).
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione?
3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione has a molecular weight of 161.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 90459869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).