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
   -2.5803   -0.8870   -1.4049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770   -0.5746   -0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -0.1058   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501    0.2697    0.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    0.5715    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.8268    0.7483 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -0.5565   -1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318    0.4559    1.6743 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