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

C9H7NOCAS 42970-55-8145.16 g/mol

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NO
AldehydeImine

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Reactions

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 Diphenylacetaldehyde947-91-140 % similar 2-Phenylpropanal34713-70-736 % similar Atropaldehyde4432-63-736 % similar 2-Phenylpropanal93-53-836 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-135 % similar Benzoyl fluoride455-32-335 % similar Dibenzoylhydrazine787-84-835 % 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′-Cyanoacetophenone1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinolin-N-oxide1532-72-5

Elsewhere

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