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
   -2.4005   -1.0141    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887   -0.1463    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    1.0288   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4938    1.8059   -0.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978    1.3557   -0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757    2.0322   -1.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252    0.1997   -0.1113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079   -0.5109    0.2876 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437   -0.2643    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -1.3950    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907   -1.6944    1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2404   -0.4175    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176   -1.6381   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693    1.3220   -0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    2.7397   -1.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1949    0.3136   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313   -1.9752    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681   -1.7416    0.9554 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