2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid

C₁₈H₁₂N₂O₂CAS 56396-35-1288.31 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Nitrile

Properties

Molecular formula: C₁₈H₁₂N₂O₂
Molar mass: 288.31 g/mol
Exact mass: 288.0899 Da
logP: 3.62Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

56396-35-1

SMILES

N#CC(=Cc1cn(-c2ccccc2)c2ccccc12)C(=O)O

InChIKey

BIZNHCWFGNKBBZ-UHFFFAOYSA-N

InChI

InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-
UK 5099
2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid

Work with 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α-Cyanocinnamic acid1011-92-353 % similar α-Cyano-4-hydroxycinnamic acid28166-41-844 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-343 % similar 3-Formyl-1H-indole-1-acetic acid138423-98-033 % similar α-Methylcinnamic acid1199-77-531 % similar 2-Fluoro-3-phenyl-2-propenoic acid350-90-331 % similar Alpha-phenylcinnamic acid91-48-531 % similar 1-Acetylindole-3-carboxaldehyde22948-94-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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