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
    3.5447   -0.1894    1.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443    0.0218    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    0.2955   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1379   -0.4779    0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -0.1561   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207    0.7007   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -0.7845    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3536   -1.2954    0.5418 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0099    1.3838    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    0.0594   -1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116   -1.5732    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181   -0.1429    1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.9428   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2388    1.2155   -1.4953 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