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
    2.0414    0.3754    2.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397   -0.3097    1.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4179   -1.1887    0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -0.4202    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487    0.5947   -0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815    0.5343   -1.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    1.6942   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.5387    0.0464 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633   -1.9675    1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840   -1.6971    0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781    0.0077    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4003   -1.1630   -0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5131    1.2916   -2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210   -0.2906   -2.1802 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