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
    3.5075    0.2166   -1.2926 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.4621   -0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053    0.7501   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -0.4986   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -0.2474    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028   -0.9106    1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    0.6232   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506    1.3577   -0.8656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6778    1.5813   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    1.0950    0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139   -0.8539   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526   -1.2438    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -1.5752    1.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -0.7564    1.7990 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