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
    1.5696    0.0274   -3.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.2893   -2.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195   -0.6741   -1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    0.4075   -0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368    0.1673    0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    1.0804    1.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949   -1.0191    1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -1.9751    1.3334 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244   -1.6393   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -0.7258   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063    0.3508   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    1.3719   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    1.9622    1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097    0.9553    2.7031 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