Monomers

2-Methyleneglutaronitrile

Identifiers

IUPAC name
2-methylidenepentanedinitrile
InchI
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InchI Key
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
SMILES
N#CCCC(=C)C#N
Canonical SMILES
C=C(CCC#N)C#N
Isomeric SMILES
C=C(CCC#N)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H6N2
Heavy Atom Count
8
Molecular Weight
106.128
Exact Molecular Weight
106.0531
Valence Electrons
40
Radical Electrons
0
tPSA
47.58
MolLogP
1.37
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

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.4927   -1.4189    1.9793 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987   -0.6345    1.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5168    0.3509    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654    0.0557   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352    0.1419   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188   -0.9241   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216    1.3731    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    2.3866    0.9541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4570    0.1754   -0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162    1.3901    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    0.8123   -1.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046   -0.9685   -1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   -0.8896    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267   -1.8505   -0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  3  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers