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

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
    2.4183    2.4244   -1.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    1.8218   -0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065    1.0539    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -0.0663   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648   -0.8623    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9690   -0.9244    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278   -1.5677    1.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182   -2.1479    2.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285    1.7557    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034    0.6391    0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989    0.4484   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915   -0.6697   -1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136   -0.4077   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224   -1.4972    0.6546 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