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
    2.1850    0.8217    2.9401 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    0.3499    1.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912   -0.2008    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090    0.4932    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -0.0342   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311   -0.5702   -0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838    0.0099   -2.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452    0.0502   -3.1446 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -1.2946    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586   -0.0401   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370    1.5704    0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    0.4418    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673   -0.6325    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -0.9647   -1.5918 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