chempirical

2-(Dicyanomethylene)-1,3-indandione

C12H4N2O2CAS 16954-74-8208.18 g/mol

Open in Covalent MOL file
NNOO
AlkeneKetoneNitrile

Properties

Molecular formula
C12H4N2O2
Molar mass
208.18 g/mol
Exact mass
208.0273 Da
Melting point
281 °C
logP
1.41Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
16954-74-8
SMILES
N#CC(C#N)=C1C(=O)c2ccccc2C1=O
InChIKey
WQFLMIPTYDGFOB-UHFFFAOYSA-N
InChI
InChI=1S/C12H4N2O2/c13-5-7(6-14)10-11(15)8-3-1-2-4-9(8)12(10)16/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Propanedinitrile, 2-(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)-
  • δ2,α-Indanmalononitrile, 1,3-dioxo-
  • Propanedinitrile, (1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)-
  • 2-(1,3-Dihydro-1,3-dioxo-2H-inden-2-ylidene)propanedinitrile
  • (1,3-Dioxoindan-2-ylidene)propanedinitrile
  • 2-(1,3-Dioxo-1H-inden-2(3H)-ylidene)malononitrile
  • 2-(1,3-Dioxo-indan-2-ylidene)-malononitrile
  • 2-(1,3-Dioxoinden-2-ylidene)propanedinitrile
  • 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-ylidene)propanedinitrile

Work with 2-(Dicyanomethylene)-1,3-indandione

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

3-(Dicyanomethylidene)indan-1-one1080-74-647 % similar 1,4-Diamino-2,3-dihydroanthraquinone81-63-047 % similar Dichlone117-80-645 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-539 % similar 2,3-Dichloro-α-oxobenzeneacetonitrile77668-42-938 % similar Indigo blue482-89-338 % similar Quinoclamine2797-51-537 % similar Anthraquinone84-65-137 % similar

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

Elsewhere

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