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
    0.7913    2.8992   -0.4091 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626    1.7832   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261    0.3904   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -0.4328    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8683   -0.4160    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -1.5509   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642    0.8387    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533    1.8585    0.2394 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115   -0.0671   -1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4794    0.2580   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936   -1.4791    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546   -0.1198    1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -1.5038   -0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017   -2.4583   -0.0832 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