3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one

C18H21NO — CID 90423979

IUPAC3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H21NO/c20-18-17(7-4-12-19-18)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2,(H,19,20)
InChIKeyYICGTLBIHHNTBU-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds3

About 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one

3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one (PubChem CID 90423979) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one
PubChem CID90423979
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H21NO/c20-18-17(7-4-12-19-18)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2,(H,19,20)
InChIKeyYICGTLBIHHNTBU-UHFFFAOYSA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one (CID 90423979) is 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one is O=c1[nH]cccc1Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one?
The InChIKey is YICGTLBIHHNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18-17(7-4-12-19-18)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13H2,(H,19,20).
What are the key properties of 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one?
3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one has a molecular weight of 267.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylphenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 90423979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).