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
    2.5360   -0.0885    1.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -0.0687    1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0827   -0.0464    1.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7302    0.7293    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3051    0.0710   -0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    0.4807   -2.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -1.4691   -0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -2.4462   -0.6187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.3085    2.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691   -1.1274    1.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536    1.7566    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    0.8634    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371   -0.4153   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993    1.4520   -2.4005 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