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
    2.2920   -1.3237   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642   -0.2649   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404    1.0533   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6123    1.9887   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6920    1.5926   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892    2.4693    0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9893    0.2927    0.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0080   -0.6233    0.0322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3373   -0.1053    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6446   -1.3754    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3228   -0.9459   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -1.9773    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063   -1.9460   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709    1.3377   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8752    3.0296   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239    0.6236    0.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691   -2.1235    0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6569   -1.7023    0.5068 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