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
    2.8810    0.9047   -0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104    0.7912    0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7357    0.6368    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135    0.6493    0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -0.4251   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5435   -1.3295   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4051   -0.5246   -1.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -0.5873   -2.2922 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -0.3281    2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.4233    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6469    1.6628    0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    0.4983    1.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2862   -1.2468    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057   -2.1251   -1.1278 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