chempirical

Isopropylidenemalononitrile

C6H6N2CAS 13166-10-4106.13 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C6H6N2
Molar mass
106.13 g/mol
Exact mass
106.0531 Da
logP
1.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
13166-10-4
SMILES
CC(=C(C#N)C#N)C
InChIKey
NVBHWAQBDJEGEO-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2/c1-5(2)6(3-7)4-8/h1-2H3

Weigh it out

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

Work with Isopropylidenemalononitrile

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

Tetracyanoquinodimethane1518-16-740 % similar 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-638 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-338 % similar Methacrylonitrile126-98-738 % similar [(Dimethylamino)methylene]propanedinitrile16849-88-033 % similar Tetramethylethylene563-79-133 % similar 2-Amino-1-propene-1,1,3-tricarbonitrile868-54-232 % similar

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

Same formula

3-Hexenedinitrile1119-85-3 2-Methyleneglutaronitrile1572-52-7 Vinylpyrazine4177-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook