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
-0.0078 0.3314 2.6619 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0250 0.2185 1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0890 0.0881 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 -0.7011 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.7763 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 1.3390 -1.3949 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -1.2251 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7572 -0.8272 -1.6053 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