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
    2.5744   -1.2478   -0.2554 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8953   -0.4936    0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    0.4895    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4200    0.0906    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.0469   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251   -1.0921   -1.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714    1.2467   -1.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5571    2.2074   -2.0354 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    1.4914    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    0.4571    2.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167   -0.9038    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9968    0.8649    1.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128   -1.1798   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -1.9775   -0.5218 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