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

C12H19NO — CID 121015093

IUPAC1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one
SMILESCC1=CC(=O)CCN1C1CCCCC1
InChIInChI=1S/C12H19NO/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyOSKWFKCABPWOJU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds1

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

1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one (PubChem CID 121015093) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one
PubChem CID121015093
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one
SMILESCC1=CC(=O)CCN1C1CCCCC1
InChIInChI=1S/C12H19NO/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyOSKWFKCABPWOJU-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

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(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
(3S)-3-methyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
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3-methyl-2,3,5,6-tetrahydro-7(1H)-indolizinone
CID 11073597
(Z)-4-[cyclohexyl(prop-1-ynyl)amino]pent-3-en-2-one
CID 11816853
3-[Cyclohexyl(methyl)amino]cyclohex-2-en-1-one
CID 12735106
CID 13587402
CID 13587402
CID 129918961
CID 129918961
1,6-Dimethyl-2,3-dihydropyridin-4-one
CID 23009022
1-Cyclohexyl-2-methylpyridin-4-one
CID 57058438

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one (CID 121015093) is 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one is CC1=CC(=O)CCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one?
The InChIKey is OSKWFKCABPWOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one?
1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one has a molecular weight of 193.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 121015093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).