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
    1.3870    3.5177    0.4858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073    2.4715    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1827    1.3748    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    0.1040   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -1.0891   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0887   -2.1224    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -1.0376   -1.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090   -0.9900   -2.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399    1.4787   -0.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460    1.1880    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -0.0348    0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804    0.2404   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6640   -2.0482    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616   -3.0530    0.4371 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