2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone

C13H15NO — CID 130917901

IUPAC2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)CC2=CCCC2)nc1
InChIInChI=1S/C13H15NO/c1-10-6-7-12(14-9-10)13(15)8-11-4-2-3-5-11/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyJQPJKKBELAXDBR-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds3

About 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone

2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 130917901) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
PubChem CID130917901
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(C(=O)CC2=CCCC2)nc1
InChIInChI=1S/C13H15NO/c1-10-6-7-12(14-9-10)13(15)8-11-4-2-3-5-11/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyJQPJKKBELAXDBR-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone 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-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone (CID 130917901) is 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(C(=O)CC2=CCCC2)nc1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is JQPJKKBELAXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-6-7-12(14-9-10)13(15)8-11-4-2-3-5-11/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone?
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 130917901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).