2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one

C10H15NO — CID 13119714

IUPAC2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)CCC1=O
InChIInChI=1S/C10H15NO/c1-8-9(4-5-10(8)12)11-6-2-3-7-11/h2-7H2,1H3
InChIKeyZJUWVCPWYGFQMS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds1

About 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one

2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 13119714) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID13119714
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)CCC1=O
InChIInChI=1S/C10H15NO/c1-8-9(4-5-10(8)12)11-6-2-3-7-11/h2-7H2,1H3
InChIKeyZJUWVCPWYGFQMS-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Analyze 2-methyl-3-pyrrolidin-1-ylcyclopent-2-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-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 13119714) is 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is CC1=C(N2CCCC2)CCC1=O.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is ZJUWVCPWYGFQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-9(4-5-10(8)12)11-6-2-3-7-11/h2-7H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 13119714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).