(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone

C13H17NO — CID 107186922

IUPAC(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCCC2C)cn1
InChIInChI=1S/C13H17NO/c1-9-4-3-5-12(9)13(15)11-7-6-10(2)14-8-11/h6-9,12H,3-5H2,1-2H3
InChIKeyJAGPIAZWRPBNSM-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.01
Rot. Bonds2

About (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone

(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 107186922) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID107186922
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCCC2C)cn1
InChIInChI=1S/C13H17NO/c1-9-4-3-5-12(9)13(15)11-7-6-10(2)14-8-11/h6-9,12H,3-5H2,1-2H3
InChIKeyJAGPIAZWRPBNSM-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone 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-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone (CID 107186922) is (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2CCCC2C)cn1.
What is the InChIKey of (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is JAGPIAZWRPBNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-4-3-5-12(9)13(15)11-7-6-10(2)14-8-11/h6-9,12H,3-5H2,1-2H3.
What are the key properties of (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone?
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 203.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 107186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).