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
    1.3464   -1.4379    3.1122 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8642   -0.7653    2.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301   -0.0291    1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -0.7561   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3064    0.1835   -1.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566    1.3884   -0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5091   -0.2979   -2.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -0.6836   -3.6646 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324    0.9843    0.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495    0.2645    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -0.9557   -0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2106   -1.7068   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054    1.9291   -1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7259    1.8828    0.0162 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