1-cyclohex-2-en-1-ylpyrrolidin-2-one

C10H15NO — CID 14074666

IUPAC1-cyclohex-2-en-1-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1C=CCCC1
InChIInChI=1S/C10H15NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8H2
InChIKeyURYVXQKIOUFSLX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds1

About 1-cyclohex-2-en-1-ylpyrrolidin-2-one

1-cyclohex-2-en-1-ylpyrrolidin-2-one (PubChem CID 14074666) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylpyrrolidin-2-one
PubChem CID14074666
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-cyclohex-2-en-1-ylpyrrolidin-2-one
SMILESO=C1CCCN1C1C=CCCC1
InChIInChI=1S/C10H15NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8H2
InChIKeyURYVXQKIOUFSLX-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohex-2-en-1-ylpyrrolidin-2-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 1-cyclohex-2-en-1-ylpyrrolidin-2-one?
The IUPAC name of 1-cyclohex-2-en-1-ylpyrrolidin-2-one (CID 14074666) is 1-cyclohex-2-en-1-ylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclohex-2-en-1-ylpyrrolidin-2-one?
The canonical SMILES for 1-cyclohex-2-en-1-ylpyrrolidin-2-one is O=C1CCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylpyrrolidin-2-one?
The InChIKey is URYVXQKIOUFSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8H2.
What are the key properties of 1-cyclohex-2-en-1-ylpyrrolidin-2-one?
1-cyclohex-2-en-1-ylpyrrolidin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylpyrrolidin-2-one is sourced from PubChem (CID 14074666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).