2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid

C18H19NO3 — CID 82063264

IUPAC2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)n1ccc(/C=C/c2ccc(C)cc2)cc1=O
InChIInChI=1S/C18H19NO3/c1-3-16(18(21)22)19-11-10-15(12-17(19)20)9-8-14-6-4-13(2)5-7-14/h4-12,16H,3H2,1-2H3,(H,21,22)/b9-8+
InChIKeyWDKCGFJYXNIXSI-CMDGGOBGSA-N
MW297.35 g/mol
LogP3.36
Rot. Bonds5

About 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid

2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 82063264) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid
PubChem CID82063264
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)n1ccc(/C=C/c2ccc(C)cc2)cc1=O
InChIInChI=1S/C18H19NO3/c1-3-16(18(21)22)19-11-10-15(12-17(19)20)9-8-14-6-4-13(2)5-7-14/h4-12,16H,3H2,1-2H3,(H,21,22)/b9-8+
InChIKeyWDKCGFJYXNIXSI-CMDGGOBGSA-N
XLogP3.36
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063259
2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
CID 82212086
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262
2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
CID 82031529
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
CID 82146642
2-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]-1,1-dioxo-3H-thieno[2,3-d][1,2]thiazol-2-yl]butanoic acid
CID 76606582
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926
2-(3-ethyl-2-oxoimidazol-1-yl)butanoic acid
CID 82398430
2-[2-(4-chlorophenyl)-4-methylpyrrol-1-yl]butanoic acid
CID 82363967
2-[2-(3,4-dimethylphenyl)-4-methylpyrrol-1-yl]butanoic acid
CID 82363990
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
4-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carboxamide
CID 142094350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid (CID 82063264) is 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid is CCC(C(=O)O)n1ccc(/C=C/c2ccc(C)cc2)cc1=O.
What is the InChIKey of 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is WDKCGFJYXNIXSI-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-16(18(21)22)19-11-10-15(12-17(19)20)9-8-14-6-4-13(2)5-7-14/h4-12,16H,3H2,1-2H3,(H,21,22)/b9-8+.
What are the key properties of 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid?
2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82063264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).