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
   -2.0724    0.2836    2.0539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5167    0.7434    1.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    1.3252    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782    0.7531   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503   -0.7209   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -1.5208    0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188   -1.2582   -1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -1.7159   -2.3801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    2.4314    0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3845    1.1613   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    1.0311    0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108    1.2106   -0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -2.5939    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -1.1299    1.4574 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