1-(cyclohexylmethyl)pyridin-4-one

C12H17NO — CID 116622212

IUPAC1-(cyclohexylmethyl)pyridin-4-one
SMILESO=c1ccn(CC2CCCCC2)cc1
InChIInChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySVHPJELSRKFLAH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds2

About 1-(cyclohexylmethyl)pyridin-4-one

1-(cyclohexylmethyl)pyridin-4-one (PubChem CID 116622212) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyridin-4-one
PubChem CID116622212
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(cyclohexylmethyl)pyridin-4-one
SMILESO=c1ccn(CC2CCCCC2)cc1
InChIInChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeySVHPJELSRKFLAH-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-methylpyridin-4-one
CID 130577055
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
1-(cyclooctylmethyl)imidazole
CID 20550238
1-(2-cyclopropyl-2-oxoethyl)pyridin-4-one
CID 63914417
1-(cycloundecylmethyl)piperidine-2,6-dione
CID 177141930
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
1-(cyclopentylmethyl)-3-methylpyridin-2-one
CID 115746868
4-chloro-1-(cyclohexylmethyl)imidazole
CID 56616752
1-(4-chlorophenyl)-4-(cyclohexylmethyl)pyrazine-2,3-dione
CID 163347017
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
1-(cyclopentylmethyl)-5-methylpyridin-2-one
CID 167142146

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyridin-4-one?
The IUPAC name of 1-(cyclohexylmethyl)pyridin-4-one (CID 116622212) is 1-(cyclohexylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(cyclohexylmethyl)pyridin-4-one?
The canonical SMILES for 1-(cyclohexylmethyl)pyridin-4-one is O=c1ccn(CC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)pyridin-4-one?
The InChIKey is SVHPJELSRKFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 1-(cyclohexylmethyl)pyridin-4-one?
1-(cyclohexylmethyl)pyridin-4-one has a molecular weight of 191.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyridin-4-one is sourced from PubChem (CID 116622212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).