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
    0.4809    2.0446    1.9009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145    1.7309    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315    1.3428   -0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087   -0.1570   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -0.8272    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -1.6063    1.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750   -0.6313   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8844   -0.4597   -0.7499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    1.5940   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642    1.8275   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356   -0.4880   -1.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6769   -0.5016   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206   -2.0842    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -1.7844    1.4411 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