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
    2.6646   -2.2961    1.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.6589    1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -0.8833    0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5927   -0.0296   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    0.7870   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2920    0.6359   -1.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739    1.7494    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314    2.5411    1.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2703   -0.2891    1.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4188   -1.5754    0.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978   -0.7250   -1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    0.6082   -0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880    1.2052   -1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720   -0.0694   -2.3450 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