3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one

C14H20ClNO — CID 82525716

IUPAC3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CCCCC2)c(=O)c1CCl
InChIInChI=1S/C14H20ClNO/c1-10-8-11(2)16(14(17)13(10)9-15)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyBFAQMJPNDJYQOU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.71
Rot. Bonds2

About 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one

3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one (PubChem CID 82525716) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
PubChem CID82525716
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(C2CCCCC2)c(=O)c1CCl
InChIInChI=1S/C14H20ClNO/c1-10-8-11(2)16(14(17)13(10)9-15)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyBFAQMJPNDJYQOU-UHFFFAOYSA-N
XLogP3.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-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

1-cyclopentyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82525770
1-cyclopropyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82526094
3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
CID 82466701
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189598
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82524860
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525740
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
CID 47123773
2-chloro-1-[1-(1,1-dioxothian-4-yl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 43615551
1-cyclopropyl-4,6-dimethyl-3-(4-methylpiperidine-1-carbonyl)pyridin-2-one
CID 110849097

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one (CID 82525716) is 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one is Cc1cc(C)n(C2CCCCC2)c(=O)c1CCl.
What is the InChIKey of 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one?
The InChIKey is BFAQMJPNDJYQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-8-11(2)16(14(17)13(10)9-15)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one?
3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one has a molecular weight of 253.77 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).