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
    2.5405   -0.5477   -2.7046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -0.5701   -1.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -0.6033   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.3319   -0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    0.3528    0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0963    0.0317    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079    0.7067    1.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295    1.0079    2.9405 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8613   -0.2345    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7796   -1.6010   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3719    1.3586   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -0.0479   -1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    0.0445    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952   -0.2295   -0.3552 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