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
    3.5702   -0.7725    0.8396 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   -0.4147    0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519    0.0156    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072   -0.2633   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9976    0.1949   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9868   -0.6436   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    1.5827   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    2.7257   -0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701    1.1061    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4997   -0.5114    1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587   -1.3138   -0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    0.3695   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308   -0.3870   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464   -1.6882   -0.8332 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