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
    2.7722   -0.2409   -0.5637 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    0.0237    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692    0.3569    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009   -0.3759    0.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8131    0.0196   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232   -0.9310   -1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1741    1.3676   -0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4662    2.4385   -0.9689 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8302    1.4490    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2784    0.0169    2.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650   -0.0694    1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139   -1.4482    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.6519   -2.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.9549   -1.1536 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