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
    0.0788    2.0138   -1.9847 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841    1.6364   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    1.1049    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452   -0.3852    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914   -0.7224    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565   -1.4345   -0.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4610   -0.2626    1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266    0.0806    2.1228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065    1.5726    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061    1.3986    0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -0.8351   -0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -0.7592    1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764   -1.7479   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -1.6600   -0.8578 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