Monomers
Vinylidene cyanide
Identifiers
IUPAC name
2-methylidenepropanedinitrile
InchI
InChI=1S/C4H2N2/c1-4(2-5)3-6/h1H2
InchI Key
FCYVWWWTHPPJII-UHFFFAOYSA-N
SMILES
N#CC(=C)C#N
Canonical SMILES
C=C(C#N)C#N
Isomeric SMILES
C=C(C#N)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H2N2
Heavy Atom Count
6
Molecular Weight
78.074
Exact Molecular Weight
78.0218
Valence Electrons
28
Radical Electrons
0
tPSA
47.58
MolLogP
0.5898
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
8 7 0 0 0 0 0 0 0 0999 V2000
-0.2103 2.1894 1.5938 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0983 1.2488 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 0.1491 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9415 -0.7406 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 -0.1063 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1147 -0.2791 -1.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7745 -1.5303 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8540 -0.9312 0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 3 0
4 7 1 0
4 8 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers