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
    2.8657    0.8076   -0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0675   -0.0279   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553   -1.0786   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2395   -0.6588   -0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9303    0.4484   -0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641    0.9952    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492    0.9357   -0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    1.3171   -1.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967   -1.9377   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -1.4344    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808   -1.5518   -0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -0.3333   -1.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    0.7053    1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    1.8132    1.4388 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