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
   -2.2473   -1.3512   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397   -0.2684   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363    1.0453   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    2.0001   -0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409    1.5800   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555    2.4505   -0.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060    0.2996    0.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472   -0.6187    0.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729   -0.0826    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631   -1.3476    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.7040   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318   -0.9893    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -2.2157    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6669    1.2630   -0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433    3.0307   -0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    0.7040    0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -2.1092    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753   -1.6863    0.6275 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