1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one

C17H25NO2 — CID 58286885

IUPAC1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one
SMILESCC(C)(C)CC(=O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C17H25NO2/c1-17(2,3)12-15(19)14-10-7-11-18(16(14)20)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyQIMMTJYSZANALI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.97
Rot. Bonds3

About 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one

1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one (PubChem CID 58286885) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one
PubChem CID58286885
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one
SMILESCC(C)(C)CC(=O)c1cccn(C2CCCCC2)c1=O
InChIInChI=1S/C17H25NO2/c1-17(2,3)12-15(19)14-10-7-11-18(16(14)20)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyQIMMTJYSZANALI-UHFFFAOYSA-N
XLogP3.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)pyridin-2(1H)-one
CID 339625
1-Methyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170127
1-Cyclohexyl-3-(3-methylbutanoyl)pyridin-2-one
CID 58170164
3-(3,3-Dimethylbutanoyl)-1-methylpyridin-2-one
CID 58286884
1-(3,3-Dimethylbutan-2-yl)-3-(2,2-dimethylpropyl)pyridin-2-one
CID 58513899
CID 58710106
CID 58710106
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
CID 58710147
5-methyl-1-(4-oxo-cyclohexyl)-1H-pyridin-2-one
CID 59541095
5-Ethyl-1-(4-oxocyclohexyl)pyridin-2-one
CID 90857128
3-[4-(2-Oxo-3-propan-2-yl-1-pyridinyl)pentyl]-1-propan-2-ylpyridin-2-one
CID 132076823
3-[1-[2-(4-Tert-butyl-2-oxo-1-pyridinyl)cyclopropyl]-2-methylpropan-2-yl]-1-methylpyridin-2-one
CID 135127287
Ethane;5-methyl-1-(4-oxocyclohexyl)pyridin-2-one
CID 144076576

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one (CID 58286885) is 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one is CC(C)(C)CC(=O)c1cccn(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one?
The InChIKey is QIMMTJYSZANALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)12-15(19)14-10-7-11-18(16(14)20)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one?
1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3-dimethylbutanoyl)pyridin-2-one is sourced from PubChem (CID 58286885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).