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
   -2.8446   -1.3854    1.9715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189   -0.7150    1.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815    0.1598    0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902   -0.6397   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8009    0.1638   -0.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088    1.3662   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245   -0.5769   -1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831   -1.1711   -2.4375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    0.3007    1.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    1.1315    0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239   -1.5794    0.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -0.8067   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    1.6597   -1.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7291    2.0926    0.1880 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