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
   -2.4269    1.0468    1.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.4064    1.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479   -0.4139    1.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2213   -0.7725    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768    0.2813   -0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126    0.3705   -1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888    1.1458   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192    1.8656   -0.7382 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -0.1297    2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -1.4295    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986   -1.4602    0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -1.4957   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9939   -0.4070   -1.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581    0.9921   -2.6607 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