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
    2.0590    1.4780    1.5638 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465    0.5094    0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477   -0.6682    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300   -0.4087   -0.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    0.1322   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988    0.3135    0.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035    0.4738   -1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637    0.7391   -2.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2573   -1.0680   -0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049   -1.4455    0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822   -1.2652   -1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627    0.4045   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021    0.0958    1.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1573    0.7093    1.2711 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