6aH-cyclopenta[c]pyrrole-1,3-dione

C7H5NO2 — CID 156612494

IUPAC6aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1NC(=O)C2C=CC=C12
InChIInChI=1S/C7H5NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h1-4H,(H,8,9,10)
InChIKeyFWSRDPSQCCLZGQ-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.24
Rot. Bonds

About 6aH-cyclopenta[c]pyrrole-1,3-dione

6aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 156612494) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 6aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name6aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID156612494
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name6aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1NC(=O)C2C=CC=C12
InChIInChI=1S/C7H5NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h1-4H,(H,8,9,10)
InChIKeyFWSRDPSQCCLZGQ-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 131243894
Methylene-phtalimide
CID 13706801
3-Ethylidene-2,5-pyrrolidinedione
CID 59906841
(3Z)-3-ethylidenepyrrolidine-2,5-dione
CID 117796337
3-Ethylidene-4-methylpyrrolidine-2,5-dione
CID 53439587
3a,6-Dihydroisoindole-1,3-dione
CID 19812778
(3E)-3-ethylidene-2,5-Pyrrolidinedione
CID 21718838
dihydro-1H-isoindole-1,3-dione
CID 22048132
4-Azatricyclo[5.4.0.02,6]undeca-1,6,8,10-tetraene-3,5-dione
CID 56630643
2-(2,5-Dioxopyrrolidin-3-ylidene)acetamide
CID 67572429
3-(3-Methylbutylidene)pyrrolidine-2,5-dione
CID 69826146

Frequently Asked Questions

What is the IUPAC name of 6aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 6aH-cyclopenta[c]pyrrole-1,3-dione (CID 156612494) is 6aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 6aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 6aH-cyclopenta[c]pyrrole-1,3-dione is O=C1NC(=O)C2C=CC=C12.
What is the InChIKey of 6aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is FWSRDPSQCCLZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h1-4H,(H,8,9,10).
What are the key properties of 6aH-cyclopenta[c]pyrrole-1,3-dione?
6aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 135.12 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 156612494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).