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
    3.6108   -0.6591   -0.7086 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -0.2958   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    0.1845   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963   -0.4152    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0001    0.1166    0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0348   -0.6793    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340    1.5292    0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    2.6708    0.3631 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111   -0.0455   -1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887    1.3007   -0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394   -1.5172    0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8614   -0.1322    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495   -1.7632    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297   -0.2942    0.0784 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