6-cyclohexyl-4-methyl-1H-pyridin-2-one

C12H17NO — CID 71315668

IUPAC6-cyclohexyl-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CCCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H17NO/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyUSGUFDUEIADEJP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.73
Rot. Bonds1

About 6-cyclohexyl-4-methyl-1H-pyridin-2-one

6-cyclohexyl-4-methyl-1H-pyridin-2-one (PubChem CID 71315668) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-cyclohexyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-methyl-1H-pyridin-2-one
PubChem CID71315668
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-cyclohexyl-4-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CCCCC2)[nH]c(=O)c1
InChIInChI=1S/C12H17NO/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,13,14)
InChIKeyUSGUFDUEIADEJP-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-cyclohexyl-4-methyl-1H-pyridin-2-one (CID 71315668) is 6-cyclohexyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-4-methyl-1H-pyridin-2-one is Cc1cc(C2CCCCC2)[nH]c(=O)c1.
What is the InChIKey of 6-cyclohexyl-4-methyl-1H-pyridin-2-one?
The InChIKey is USGUFDUEIADEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 6-cyclohexyl-4-methyl-1H-pyridin-2-one?
6-cyclohexyl-4-methyl-1H-pyridin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71315668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).