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
Resources
cid=

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
    0.2590    2.2525   -1.3855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    1.2410   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204    0.0005   -0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868    0.0040    1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047   -1.2774   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881   -2.2709   -1.3225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488    0.9545    1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2939   -0.9042    1.6944 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