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
   -2.5841   -0.4832    0.6343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145   -0.4038    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219   -0.3185    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8454    0.1157   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235    0.6394   -1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551    1.0613   -2.4810 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404   -0.7101    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123    0.0993    0.1940 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