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
   -3.4546    0.7120    1.1103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656    0.7379    0.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0133    0.7944    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4185   -0.5809    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748   -0.5026   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475    0.6579   -0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -1.7375   -0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447   -2.7426   -0.8691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3648    1.3683    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    1.3227   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.1496    0.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287   -1.1192   -0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591    0.6554   -1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0217    1.5837   -0.5966 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