4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

C17H17NO3 — CID 136500879

IUPAC4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C17H17NO3/c1-11-5-4-6-13(9-11)7-8-14(19)16-15(20)10-12(2)18(3)17(16)21/h4-10,20H,1-3H3/b8-7+
InChIKeyJBFLWXVNUMEIOP-BQYQJAHWSA-N
MW283.33 g/mol
LogP2.60
Rot. Bonds3

About 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one

4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (PubChem CID 136500879) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
PubChem CID136500879
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one
SMILESCc1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1
InChIInChI=1S/C17H17NO3/c1-11-5-4-6-13(9-11)7-8-14(19)16-15(20)10-12(2)18(3)17(16)21/h4-10,20H,1-3H3/b8-7+
InChIKeyJBFLWXVNUMEIOP-BQYQJAHWSA-N
XLogP2.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-6-methyl-1-(2-phenylethyl)pyridin-2(1H)-one
CID 54694339
3-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54677461
4-Hydroxy-6-isobutyl-1-methyl-3-phenyl-pyridin-2-one
CID 76280929
(5Z)-1,3-diacetyl-5-benzylidene-4-hydroxypyrrol-2-one
CID 156018437
(5Z)-1-acetyl-5-benzylidene-3-butanoyl-4-hydroxypyrrol-2-one
CID 156020455
4-Hydroxy-6-methyl-3-phenyl-1-propyl-pyridin-2-one
CID 54719911
1-Butyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54719912
4-Hydroxy-6-methyl-1-pentyl-3-phenyl-pyridin-2-one
CID 54719913
1-Hexyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54719914
6-(2-Fluorophenyl)-4-hydroxy-1-methyl-3-propanoylpyridin-2-one
CID 54707092
6-(4-Fluorophenyl)-4-hydroxy-1-methyl-3-propanoylpyridin-2-one
CID 54707095
6-(3-Fluorophenyl)-4-hydroxy-1-methyl-3-propanoylpyridin-2-one
CID 54707099

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one (CID 136500879) is 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is Cc1cccc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
The InChIKey is JBFLWXVNUMEIOP-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-5-4-6-13(9-11)7-8-14(19)16-15(20)10-12(2)18(3)17(16)21/h4-10,20H,1-3H3/b8-7+.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one?
4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]pyridin-2-one is sourced from PubChem (CID 136500879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).