1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one

C16H23NO2 — CID 58170164

IUPAC1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
SMILESCC(C)CC(=O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C16H23NO2/c1-12(2)11-15(18)14-9-6-10-17(16(14)19)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyYHDLLWGSINZPPS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.58
Rot. Bonds4

About 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one

1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one (PubChem CID 58170164) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
PubChem CID58170164
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
SMILESCC(C)CC(=O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C16H23NO2/c1-12(2)11-15(18)14-9-6-10-17(16(14)19)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3
InChIKeyYHDLLWGSINZPPS-UHFFFAOYSA-N
XLogP3.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one (CID 58170164) is 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one is CC(C)CC(=O)c1cccn(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one?
The InChIKey is YHDLLWGSINZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)11-15(18)14-9-6-10-17(16(14)19)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one?
1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one is sourced from PubChem (CID 58170164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).