1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one

C15H23NO2 — CID 165492200

IUPAC1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
SMILESCCCC1CCC(O)CC1n1ccc(C)cc1=O
InChIInChI=1S/C15H23NO2/c1-3-4-12-5-6-13(17)10-14(12)16-8-7-11(2)9-15(16)18/h7-9,12-14,17H,3-6,10H2,1-2H3
InChIKeyDYDQXFMXRRRXJN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.66
Rot. Bonds3

About 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one

1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one (PubChem CID 165492200) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
PubChem CID165492200
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
SMILESCCCC1CCC(O)CC1n1ccc(C)cc1=O
InChIInChI=1S/C15H23NO2/c1-3-4-12-5-6-13(17)10-14(12)16-8-7-11(2)9-15(16)18/h7-9,12-14,17H,3-6,10H2,1-2H3
InChIKeyDYDQXFMXRRRXJN-UHFFFAOYSA-N
XLogP2.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
CID 165498798
1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one
CID 165498073
3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
CID 165498080
3-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364
2-propylcyclohexane-1,4-diol
CID 89257932
3-(3,3-dimethylpyrrolidin-1-yl)-4-propylcyclohexan-1-ol
CID 165497907
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
CID 104751405
2-(2-ethyl-5-hydroxycyclohexyl)-4,5-dimethyl-1,2,4-triazol-3-one
CID 165498169
4-methyl-1-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
CID 177116576
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
CID 165490788
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one (CID 165492200) is 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one is CCCC1CCC(O)CC1n1ccc(C)cc1=O.
What is the InChIKey of 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one?
The InChIKey is DYDQXFMXRRRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-12-5-6-13(17)10-14(12)16-8-7-11(2)9-15(16)18/h7-9,12-14,17H,3-6,10H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one?
1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one is sourced from PubChem (CID 165492200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).