3-cyclohexyl-1H-pyridin-2-one

C11H15NO — CID 54127669

IUPAC3-cyclohexyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CCCCC1
InChIInChI=1S/C11H15NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13)
InChIKeyNSDAFIXBLIOQQP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.42
Rot. Bonds1

About 3-cyclohexyl-1H-pyridin-2-one

3-cyclohexyl-1H-pyridin-2-one (PubChem CID 54127669) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-cyclohexyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-1H-pyridin-2-one
PubChem CID54127669
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-cyclohexyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C1CCCCC1
InChIInChI=1S/C11H15NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13)
InChIKeyNSDAFIXBLIOQQP-UHFFFAOYSA-N
XLogP2.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]-1H-pyridin-2-one
CID 6954998
2-cyclononyl-1H-pyrrole
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2-cyclotetradecyl-1H-pyrrole
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CID 90423979
2-cycloheptyl-1H-pyrrole;hydrochloride
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3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
CID 68788843
3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
CID 102539627
3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one
CID 173058396
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
(5S)-5-(2-oxo-1H-pyridin-3-yl)morpholin-3-one
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3-cyclooctylpyran-2-one
CID 22113990

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1H-pyridin-2-one?
The IUPAC name of 3-cyclohexyl-1H-pyridin-2-one (CID 54127669) is 3-cyclohexyl-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclohexyl-1H-pyridin-2-one?
The canonical SMILES for 3-cyclohexyl-1H-pyridin-2-one is O=c1[nH]cccc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1H-pyridin-2-one?
The InChIKey is NSDAFIXBLIOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,12,13).
What are the key properties of 3-cyclohexyl-1H-pyridin-2-one?
3-cyclohexyl-1H-pyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1H-pyridin-2-one is sourced from PubChem (CID 54127669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).