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
    1.1330    1.1182    3.3389 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    1.0432    2.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.9293    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424   -0.4108    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465   -0.4668   -0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680   -1.4467   -1.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853    0.5313   -1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9914    1.3400   -1.9449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.7062    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839    0.9463    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177   -0.3209    1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570   -1.2383    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6993   -2.2020   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1305   -1.5291   -2.6601 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