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
-0.9192 2.4540 0.4950 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4644 1.4049 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0879 0.1011 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 -0.9391 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4884 -0.0697 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -0.1913 -0.4682 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3373 -1.9204 -0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7723 -0.8395 0.1768 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