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
   -0.7040    1.0732    2.6840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3392    1.2804    1.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679    1.5396    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.3517   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423   -0.8581   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -1.9785    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707   -0.7746   -1.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -0.6956   -1.8475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744    1.8384   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263    2.3703    0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    0.5978   -1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431    0.2116    0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400   -2.8150    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -2.1412    0.7958 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