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
    1.8895    1.9677    2.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    1.2104    1.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922    0.2604    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191    0.5635    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8096   -0.3860   -0.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -1.3872   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420   -0.1927   -1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -0.0508   -1.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2457   -0.7728    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    0.4389   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    0.4026    1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    1.5937   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478   -2.0762   -2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -1.5715   -0.9605 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