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
1.1803 2.1247 0.8913 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6477 1.2509 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1190 0.0244 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5443 -0.9646 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5572 0.1887 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 0.3109 -0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2921 -1.9500 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6948 -0.9850 -0.2965 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