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
   -1.5791    2.3823   -0.6631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    1.2331   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871   -0.2025   -0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.6473   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -0.1932    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2544    0.4114    1.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -0.4215    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4355   -0.5932    0.5856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022   -0.6321   -1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -0.6248    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224   -1.7673   -0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518   -0.2984   -1.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    0.7172    2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851    0.6364    1.4855 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