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
    1.7692   -2.6362    0.7854 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626   -1.3759    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.2838   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503    0.1032   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873    0.0839    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    1.2891    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.6021    1.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -1.4065    2.1775 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1981    0.0377   -1.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    0.6911    0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372    1.1655   -1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633   -0.5103   -1.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    1.3680    0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324    2.0762   -0.5452 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