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
    2.8128    0.1179   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.0013   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -0.3068    1.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921   -0.4206    1.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585   -0.2172    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486   -0.3198    1.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8491    0.0750   -0.2431 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385    0.1766   -0.8366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9855    0.2892   -1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425    0.2370   -0.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6145    0.1967   -1.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    1.0662   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942   -0.7779   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.4568    1.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484   -0.6505    2.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7816    0.5236   -2.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6198    0.0305    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864    0.4383   -1.4812 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