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
0.6204 -2.4634 0.0876 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0205 -1.5005 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8388 -0.3087 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3010 0.8950 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1260 1.0025 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 1.0738 -0.0718 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9259 -0.4465 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 1.7478 -0.0508 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