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
   -0.8734    1.5415    2.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420    0.8173    1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001   -0.0885    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150    0.0905   -0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283   -0.2349   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193    0.6458   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365   -1.5635    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230   -2.6271    0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -1.1578    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    0.1573   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964    1.1000   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -0.7111   -1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    0.3851    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    1.6455   -0.7409 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