2-(dimethylamino)cyclopent-3-en-1-one

C7H11NO — CID 23015503

IUPAC2-(dimethylamino)cyclopent-3-en-1-one
SMILESCN(C)C1C=CCC1=O
InChIInChI=1S/C7H11NO/c1-8(2)6-4-3-5-7(6)9/h3-4,6H,5H2,1-2H3
InChIKeyVSFYJMSHIMZZIR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds1

About 2-(dimethylamino)cyclopent-3-en-1-one

2-(dimethylamino)cyclopent-3-en-1-one (PubChem CID 23015503) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(dimethylamino)cyclopent-3-en-1-one.

Molecular Properties

Compound Name2-(dimethylamino)cyclopent-3-en-1-one
PubChem CID23015503
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(dimethylamino)cyclopent-3-en-1-one
SMILESCN(C)C1C=CCC1=O
InChIInChI=1S/C7H11NO/c1-8(2)6-4-3-5-7(6)9/h3-4,6H,5H2,1-2H3
InChIKeyVSFYJMSHIMZZIR-UHFFFAOYSA-N
XLogP0.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)cyclopent-3-en-1-one 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 2-(dimethylamino)cyclopent-3-en-1-one?
The IUPAC name of 2-(dimethylamino)cyclopent-3-en-1-one (CID 23015503) is 2-(dimethylamino)cyclopent-3-en-1-one.
What is the SMILES notation for 2-(dimethylamino)cyclopent-3-en-1-one?
The canonical SMILES for 2-(dimethylamino)cyclopent-3-en-1-one is CN(C)C1C=CCC1=O.
What is the InChIKey of 2-(dimethylamino)cyclopent-3-en-1-one?
The InChIKey is VSFYJMSHIMZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8(2)6-4-3-5-7(6)9/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(dimethylamino)cyclopent-3-en-1-one?
2-(dimethylamino)cyclopent-3-en-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)cyclopent-3-en-1-one is sourced from PubChem (CID 23015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).