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
   -2.9773    0.4092    0.7515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.1971    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1677   -0.9177   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763   -0.8948    0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160    0.4338    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113    0.6158   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    1.5556    0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    2.4943    1.5438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -1.9342   -0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0061   -0.4135   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -1.1606    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612   -1.6286   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982    0.0080   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    1.6298   -0.3240 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