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
    2.7647   -0.7147    1.3761 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182   -0.5556    1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1043   -0.3516    1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    0.5276    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3801    0.0953   -0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.4323   -1.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.7385   -1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.3391   -1.4351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088    0.1897    2.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -1.3085    1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429    1.4775    0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    0.9167    0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    0.1692   -2.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    1.1997   -1.3512 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