chempirical

N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide

C12H9N3OCAS 26088-79-9211.22 g/mol

Open in Covalent MOL file
OHNNN
AlkeneNitrile

Properties

Molecular formula
C12H9N3O
Molar mass
211.22 g/mol
Exact mass
211.0746 Da
Melting point
236 °C
logP
2.73Crippen estimate
Polar surface area
80.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
26088-79-9
SMILES
CC(O)=Nc1ccc(C=C(C#N)C#N)cc1
InChIKey
HDJOIOGUBRECCC-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O/c1-9(16)15-12-4-2-10(3-5-12)6-11(7-13)8-14/h2-6H,1H3,(H,15,16)

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Names and synonyms

5 names
  • Acetamide, N-[4-(2,2-dicyanoethenyl)phenyl]-
  • Malononitrile, (p-acetamidobenzylidene)-
  • Acetanilide, 4′-(2,2-dicyanovinyl)-
  • NSC 56077
  • N-[4-(2,2-Dicyanovinyl)phenyl]acetamide

Work with N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide

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

N,N′-Diacetyl-P-phenylenediamine140-50-155 % similar 4-Acetamidobenzaldehyde122-85-054 % similar 4-Hydroxybenzylidenemalononitrile3785-90-853 % similar Acetanilide103-84-450 % similar Benzylidenemalononitrile2700-22-350 % similar Bromoacetanilide103-88-847 % similar P-Acetotoluidide103-89-947 % similar Acetaminophen103-90-247 % similar

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

Same formula

Milrinone78415-72-2 5,11-Dihydro-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one885-70-1

Elsewhere

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