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
   -1.5618    1.4315    2.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3534    1.3063    1.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1177    1.1371   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    0.5405   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110   -0.7590   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -1.5029   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992   -1.4394    1.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005   -2.0105    2.2611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0788    2.2032   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798    0.7123   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    1.3742   -0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    0.5656   -1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   -2.5049   -0.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621   -1.0541   -1.9938 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