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
    0.9908    0.3563    2.8292 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507    0.5319    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985    0.7153    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4987   -0.2063   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -0.2770   -0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692   -1.1461    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304    0.7083   -1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560    1.5645   -1.5954 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4389    0.5246   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1812    1.8251   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    0.1985   -1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486   -1.2400   -0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567   -1.8508    0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3193   -1.7044    0.7853 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