6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one

C21H19NO2 — CID 171904871

IUPAC6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one
SMILESC=CCOc1c(-c2ccccc2)cc(=O)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C21H19NO2/c1-3-13-24-21-18(16-7-5-4-6-8-16)14-19(23)22-20(21)17-11-9-15(2)10-12-17/h3-12,14H,1,13H2,2H3,(H,22,23)
InChIKeyYPLCVYDYOPBAAR-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.58
Rot. Bonds5

About 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one

6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one (PubChem CID 171904871) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one
PubChem CID171904871
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one
SMILESC=CCOc1c(-c2ccccc2)cc(=O)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C21H19NO2/c1-3-13-24-21-18(16-7-5-4-6-8-16)14-19(23)22-20(21)17-11-9-15(2)10-12-17/h3-12,14H,1,13H2,2H3,(H,22,23)
InChIKeyYPLCVYDYOPBAAR-UHFFFAOYSA-N
XLogP4.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548
1-N,2-N-bis(4-methylphenyl)-4-phenyl-3-prop-2-enoxybenzene-1,2-diamine
CID 139705769
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
3-methyl-4,6-diphenyl-2-prop-2-enoxypyridine
CID 141482512
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one
CID 21320870
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-bromo-4,5-difluoro-2-(3-phenyl-2-prop-2-enoxyphenyl)benzene
CID 139964980

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one (CID 171904871) is 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one is C=CCOc1c(-c2ccccc2)cc(=O)[nH]c1-c1ccc(C)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one?
The InChIKey is YPLCVYDYOPBAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-3-13-24-21-18(16-7-5-4-6-8-16)14-19(23)22-20(21)17-11-9-15(2)10-12-17/h3-12,14H,1,13H2,2H3,(H,22,23).
What are the key properties of 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one?
6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one is sourced from PubChem (CID 171904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).