1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one

C12H19NO — CID 91210077

IUPAC1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one
SMILESCC1=CC(=O)N(C2CCCCC2)CC1
InChIInChI=1S/C12H19NO/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyJVOWBEXSVGJWMW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds1

About 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one

1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one (PubChem CID 91210077) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one
PubChem CID91210077
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one
SMILESCC1=CC(=O)N(C2CCCCC2)CC1
InChIInChI=1S/C12H19NO/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyJVOWBEXSVGJWMW-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
2(1H)-Pyridinone, 1-cyclohexyl-3,4,5,6-tetramethyl-
CID 592036
3-butyl-1-methyl-2H-pyrrol-5-one
CID 10844585
7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 51031307
N-cyclohexyl-N-ethylhex-2-enamide
CID 74510241
(8aS)-7-hexyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 101412077
1-[(2R)-4-methyl-2-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 101720956
a-Geranylpiperidine
CID 129763847
4-Butyl-1-tert-butyl-2,3-dihydropyridin-6-one
CID 135038598
2-(4-Methylpent-3-en-1-yl)-7,8,9,9a-tetrahydro-1h-quinolizin-4(6h)-one
CID 171396612
1-[(2S,6R)-4-methyl-2,6-di(prop-2-en-1-yl)-3,6-dihydropyridin-1(2H)-yl]ethanone
CID 726191
Ethanone, 1-(1,2,3,6-tetrahydro-2,6-diallyl-4-methyl-1-pyridyl)-
CID 586042

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one (CID 91210077) is 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one is CC1=CC(=O)N(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one?
The InChIKey is JVOWBEXSVGJWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one?
1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 91210077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).