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
    2.5816    0.7760    1.3070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095    0.2227    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872   -0.4840   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629   -0.9394   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847    0.1330    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6871    1.3986    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -0.1942    0.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393   -0.4533    1.1505 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.2165   -1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522   -1.3628   -0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0278   -1.6535    0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5262   -1.5499   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.6896   -0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537    2.2006    0.4076 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