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
   -2.8407    0.6103    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082    0.0771    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -1.1930   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338   -1.7346   -0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8927   -0.9044   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059   -1.4159   -0.5268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8407    0.3145    0.3172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    0.7708    0.6531 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877    1.1217    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    0.8579    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537    0.0486    1.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921    1.6921    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809    0.5096   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511   -1.7648   -0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -2.7262   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7454    2.1315    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790    1.6302    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -0.0254   -0.1960 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