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
   -0.7638    2.6692   -0.6181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    1.5413   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    0.1362   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -0.4921    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328   -0.4610   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155    0.0892    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.1197   -1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020   -1.6354   -2.4097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415    0.0542    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5591   -0.3665   -1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3577    0.0263    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -1.5542    0.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    0.5507    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    0.5617    1.5768 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