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
    3.5822    0.5024   -0.7277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    0.2029   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0510   -0.1699   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957    0.3608    0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.0312    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902   -0.6943    1.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513    0.4806   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    0.8482   -1.2348 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    0.1938   -1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107   -1.2765   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4799    1.4768    0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    0.0537    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.9677    1.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078   -1.0419    2.3496 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