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
    3.1254    0.0095   -2.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528   -0.2529   -1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659   -0.5574   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1199    0.5356   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051    0.2594    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0660   -0.8010    1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    1.2039    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9826    1.9319    0.6302 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6235   -0.4661    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398   -1.5507   -0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545    1.5022   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2385    0.6601   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.5278    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017   -0.9467    1.8749 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