(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid

C15H13NO4 — CID 162357081

IUPAC(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\c2ccc[nH]c2=O)C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-20-12-6-4-10(5-7-12)13(15(18)19)9-11-3-2-8-16-14(11)17/h2-9H,1H3,(H,16,17)(H,18,19)/b13-9+
InChIKeyAGDNZWSZJYBCCI-UKTHLTGXSA-N
MW271.27 g/mol
LogP2.01
Rot. Bonds4

About (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid

(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid (PubChem CID 162357081) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid
PubChem CID162357081
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\c2ccc[nH]c2=O)C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-20-12-6-4-10(5-7-12)13(15(18)19)9-11-3-2-8-16-14(11)17/h2-9H,1H3,(H,16,17)(H,18,19)/b13-9+
InChIKeyAGDNZWSZJYBCCI-UKTHLTGXSA-N
XLogP2.01
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 146079155
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
2-[(E)-2-carboxy-2-(4-methoxyphenyl)ethenyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide
CID 20835256
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
3-(2,5-dimethoxyanilino)-2-phenylprop-2-enoic acid
CID 70039083
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid (CID 162357081) is (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid is COc1ccc(/C(=C\c2ccc[nH]c2=O)C(=O)O)cc1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid?
The InChIKey is AGDNZWSZJYBCCI-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-12-6-4-10(5-7-12)13(15(18)19)9-11-3-2-8-16-14(11)17/h2-9H,1H3,(H,16,17)(H,18,19)/b13-9+.
What are the key properties of (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid?
(E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxyphenyl)-3-(2-oxo-1H-pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 162357081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).