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
    2.8342    0.2114   -0.8081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.6634   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    1.2481    0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078    0.1903    0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762   -0.5422   -0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156   -1.8673   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4944    0.1987   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    0.8122   -2.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248    2.0159   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    1.7449    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0298    0.6265    1.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264   -0.5174    1.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533   -2.3581   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0858   -2.4264    0.4002 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