3-Phenyl-2H-azirene-2-carbaldehyde

C₉H₇NOCAS 42970-55-8145.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NO
Molar mass: 145.16 g/mol
Exact mass: 145.0528 Da
logP: 1.06Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

42970-55-8

SMILES

C1=CC=C(C=C1)C2=NC2C=O

InChIKey

OCRMMYPQBVFVJQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO/c11-6-8-9(10-8)7-4-2-1-3-5-7/h1-6,8H

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Names and synonyms

3 names

3-Phenyl-2H-azirine-2-carbaldehyde
3-Phenyl-2H-azirine-2-carboxaldehyde
2-Formyl-3-phenyl-2h-azirine

Work with 3-Phenyl-2H-azirene-2-carbaldehyde

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

Phenylglyoxal1074-12-042 % similar 2-Phenylpropanal93-53-836 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-135 % similar Dibenzoylhydrazine787-84-835 % similar trans-1,2-Dibenzoylethylene959-28-435 % similar 4-Methyl-2-phenyl-2-pentenal26643-91-435 % similar (±)-Benzoin oxime441-38-335 % similar Tetraphenyl butadiene1450-63-134 % similar

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

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5

Elsewhere

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