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
   -1.6487   -2.2627    1.0565 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -1.1078    0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    0.3111    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461    0.6908    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563    0.1353   -0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -0.6682   -1.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    0.4914   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686    0.7714   -0.8902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149    0.7897    1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8362    0.6641   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    0.4337    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361    1.8144    0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -0.9972   -1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550   -1.0661   -2.2491 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