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
    3.2697    1.8471   -0.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.0327   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200    0.1192    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    0.2097   -0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051   -0.6360   -0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7921   -1.3017    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    0.6754    0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726    1.5212    1.6003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864    0.3750    1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982   -0.9466    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0685    1.2347   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5499   -0.1395   -1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6820   -1.4811    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -2.5101   -0.2630 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