Monomers

Fumaronitrile

Identifiers

IUPAC name
(E)-but-2-enedinitrile
InchI
InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
InchI Key
KYPOHTVBFVELTG-OWOJBTEDSA-N
SMILES
N#C/C=C/C#N
Canonical SMILES
C(=CC#N)C#N
Isomeric SMILES
C(=C/C#N)\C#N
Resources

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
   -2.7223   -0.4083    1.3691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -0.0505    0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4758    0.4043    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825   -0.4112   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    0.0520   -0.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.4220   -0.9850 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010    1.4665    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994   -1.4750    0.0894 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
  4  5  1  0
  5  6  3  0
  3  7  1  0
  4  8  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers