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
   -2.3348    1.2075   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574    0.2126   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802   -1.1199   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -2.0306   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434   -1.5678   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355   -2.3310    0.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215   -0.2339   -0.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139    0.6207   -0.2358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546    0.2468   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    1.5181   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414    2.2401   -0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039    1.1314    0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8543    0.9926   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -1.4830   -0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7653   -3.0847   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1406   -0.4638    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970    1.9347   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7886    2.2100   -0.2208 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