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
   -2.7951   -0.0203   -0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5026    0.0547   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4990    0.3587    1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112    0.4277    1.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8921    0.1865    1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699    0.2554    1.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604   -0.1049   -0.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251   -0.1620   -0.8118 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169   -0.3654   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -0.3684   -0.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1425   -1.0620   -1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837    0.3823   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    0.5835   -0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430    0.5399    1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2541    0.6621    2.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -0.6001   -2.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119   -0.1705    0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535   -0.5974   -1.3199 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