Monomers

2-Ethenyl-6-methylpyridazin-3(2H)-one

Identifiers

IUPAC name
2-ethenyl-6-methylpyridazin-3-one
InchI
InChI=1S/C7H8N2O/c1-3-9-7(10)5-4-6(2)8-9/h3-5H,1H2,2H3
InchI Key
XDGWZXLOJQQYPH-UHFFFAOYSA-N
SMILES
Cc1ccc(=O)n(n1)C=C
Canonical SMILES
CC1=NN(C(=O)C=C1)C=C
Isomeric SMILES
CC1=NN(C(=O)C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8N2O
Heavy Atom Count
10
Molecular Weight
136.154
Exact Molecular Weight
136.0637
Valence Electrons
52
Radical Electrons
0
tPSA
34.89
MolLogP
0.6522
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.8018   -0.5136   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5137   -0.0276    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160    1.0471    0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2031    1.4744    1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363    0.7653    0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    1.1549    1.4161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -0.2720    0.1379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955   -0.6535   -0.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9445   -1.0129   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -0.7146   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6252    0.1911   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0939   -1.5042   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -0.5916   -1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213    1.5468    1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1039    2.3211    2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -1.9655   -0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585   -1.3953   -0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    0.1502    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  3
  8  2  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers