1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone

C9H13NO — CID 58497653

IUPAC1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone
SMILESCC(=O)N1CCC2C=CCC21
InChIInChI=1S/C9H13NO/c1-7(11)10-6-5-8-3-2-4-9(8)10/h2-3,8-9H,4-6H2,1H3
InChIKeyVYGXPKPPESDWNF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds

About 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone

1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone (PubChem CID 58497653) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone
PubChem CID58497653
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone
SMILESCC(=O)N1CCC2C=CCC21
InChIInChI=1S/C9H13NO/c1-7(11)10-6-5-8-3-2-4-9(8)10/h2-3,8-9H,4-6H2,1H3
InChIKeyVYGXPKPPESDWNF-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone?
The IUPAC name of 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone (CID 58497653) is 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone?
The canonical SMILES for 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone is CC(=O)N1CCC2C=CCC21.
What is the InChIKey of 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone?
The InChIKey is VYGXPKPPESDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)10-6-5-8-3-2-4-9(8)10/h2-3,8-9H,4-6H2,1H3.
What are the key properties of 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone?
1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanone is sourced from PubChem (CID 58497653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).