1-methyl-3-(4-oxocyclohexyl)pyridin-2-one

C12H15NO2 — CID 66750433

IUPAC1-methyl-3-(4-oxocyclohexyl)pyridin-2-one
SMILESCn1cccc(C2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H15NO2/c1-13-8-2-3-11(12(13)15)9-4-6-10(14)7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyPMYXTKSJCQWJGS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds1

About 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one

1-methyl-3-(4-oxocyclohexyl)pyridin-2-one (PubChem CID 66750433) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxocyclohexyl)pyridin-2-one
PubChem CID66750433
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-methyl-3-(4-oxocyclohexyl)pyridin-2-one
SMILESCn1cccc(C2CCC(=O)CC2)c1=O
InChIInChI=1S/C12H15NO2/c1-13-8-2-3-11(12(13)15)9-4-6-10(14)7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyPMYXTKSJCQWJGS-UHFFFAOYSA-N
XLogP1.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one (CID 66750433) is 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one is Cn1cccc(C2CCC(=O)CC2)c1=O.
What is the InChIKey of 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one?
The InChIKey is PMYXTKSJCQWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-2-3-11(12(13)15)9-4-6-10(14)7-5-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one?
1-methyl-3-(4-oxocyclohexyl)pyridin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxocyclohexyl)pyridin-2-one is sourced from PubChem (CID 66750433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).