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
   -2.4593    1.7543    0.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791    0.7563   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -0.5205   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518   -0.8470    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124    0.1894    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949   -0.2089   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.5275    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4981    2.6559    0.9295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854   -0.3700   -1.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -1.2925   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2415   -1.8572    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296   -0.9037    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    0.3838   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -1.2673   -0.5995 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