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
   -0.7806   -2.2290    1.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529   -1.2104    1.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162    0.0918    1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8714    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.1746   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292   -0.1433   -1.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577   -0.1533   -1.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -0.4386   -1.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261    0.6851    2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    0.0161    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    1.0523    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    1.8490    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    0.0761   -1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -0.6418   -2.7201 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