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
   -2.4173   -0.7461    0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2482    0.0313    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046    1.3284   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    1.9902   -0.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    1.3176   -0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    1.9200   -1.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854    0.0367   -0.2285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652   -0.5963    0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -0.6161   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358   -1.8501    0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -1.3940   -0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2134   -0.0634    1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291   -1.4071    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3601    1.8117   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297    3.0161   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088   -0.0613   -0.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734   -2.3523    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723   -2.3653    0.1248 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