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
    2.8229    2.3963   -0.5559 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642    1.7860   -0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    0.9930   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403   -0.0227    0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021   -0.8140    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -0.8395    1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157   -1.5159   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914   -2.1184   -1.9068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    1.6037   -0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    0.3549   -1.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5054    0.5803    1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4355   -0.6888    0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2836   -0.3070    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -1.4076    1.3185 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