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
    3.4670    1.0796    0.9259 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    1.0464    0.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938    1.0276    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705   -0.4361    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.5299    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3317   -1.1938   -1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.0918    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.5986    1.6116 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804    1.4940   -0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822    1.5765    1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0388   -0.9884   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962   -0.8220    1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252   -1.6560   -1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -1.2884   -1.3243 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