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
-1.6411 2.0301 0.4948 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 1.1766 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0550 0.0673 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 -0.7481 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2851 -0.0988 -1.4712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5396 -0.2018 -2.5242 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2443 -0.6857 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1366 -1.5397 0.4863 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