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
    0.8097   -3.1027   -1.8957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8664   -2.1246   -1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9524   -0.8937   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -0.3754   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813    1.0025    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.6955    0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9066    1.3670    0.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825    1.6774    1.0747 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027   -1.3748    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -0.2475   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381   -1.0198    0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049   -0.4308   -1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5791    2.6399    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568    1.1868    0.6250 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