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

C11H15NO2 — CID 540323

IUPAC2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC(=O)C1=C(N2CCCC2)CCC1=O
InChIInChI=1S/C11H15NO2/c1-8(13)11-9(4-5-10(11)14)12-6-2-3-7-12/h2-7H2,1H3
InChIKeyKQSVXWSBOLFQMT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds2

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

2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 540323) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID540323
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC(=O)C1=C(N2CCCC2)CCC1=O
InChIInChI=1S/C11H15NO2/c1-8(13)11-9(4-5-10(11)14)12-6-2-3-7-12/h2-7H2,1H3
InChIKeyKQSVXWSBOLFQMT-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-acetyl-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

Related Compounds

3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185989
2-Acetyl-3-(1-piperidinyl)-2-cyclopenten-1-one
CID 788502
2-Methyl-3-(pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 13119714
3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 86131843
2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 301501
2-(1-Pyrrolidin-1-ylpentylidene)cyclohexane-1,3-dione
CID 2372898
2-Acetyl-3-pyrrolidin-1-yl-cyclohex-2-enone
CID 2751149
2-Ethyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one
CID 15105493
1-[2-(Pyrrolidin-1-yl)cyclopent-1-en-1-yl]ethanone
CID 85870029
3-Methyl-2-(1-pyrrolidinyl)-2-cyclohexen-1-one
CID 15553226
4-(Dimethylamino)-5-methylcyclopent-4-ene-1,3-dione
CID 70522361
2-Acetyl-3-[di(propan-2-yl)amino]cyclopent-2-en-1-one
CID 1917024

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 540323) is 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is CC(=O)C1=C(N2CCCC2)CCC1=O.
What is the InChIKey of 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is KQSVXWSBOLFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)11-9(4-5-10(11)14)12-6-2-3-7-12/h2-7H2,1H3.
What are the key properties of 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one?
2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 540323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).