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
   -1.8416    1.8521    1.2662 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045    0.9326    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -0.2143   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331   -0.2015   -0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078   -0.2793    0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7802    0.7063    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -1.3623    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724   -2.2308    1.8016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2537   -0.1459   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -1.1574    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0078   -0.9808   -1.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257    0.7635   -1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851    0.7360    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.5815   -0.4746 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