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

C20H30N2O2 — CID 160955139

IUPAC3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)C(=O)CC1.CC1=C(N2CCCC2)C(=O)CC1
InChIInChI=1S/2C10H15NO/c2*1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2*2-7H2,1H3
InChIKeySWHBAFPZPPUBKQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.44
Rot. Bonds2

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

3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 160955139) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID160955139
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)C(=O)CC1.CC1=C(N2CCCC2)C(=O)CC1
InChIInChI=1S/2C10H15NO/c2*1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2*2-7H2,1H3
InChIKeySWHBAFPZPPUBKQ-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-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

Related Compounds

CID 18185989
CID 18185989
CID 86131843
CID 86131843
CID 20537694
CID 20537694
CID 157387696
CID 157387696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 160955139) is 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is CC1=C(N2CCCC2)C(=O)CC1.CC1=C(N2CCCC2)C(=O)CC1.
What is the InChIKey of 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is SWHBAFPZPPUBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO/c2*1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2*2-7H2,1H3.
What are the key properties of 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 330.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 160955139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).