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
   -2.7711   -0.8758   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886   -0.1442   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086    1.2319   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    1.8539    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    1.0757    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    1.6979    0.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -0.2553    0.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3477   -0.8143   -0.0851 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127   -1.0831    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2422   -0.7417    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.2041   -0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8427   -1.6702    0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7745   -1.3812   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    1.8104   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242    2.9288    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8225   -2.1781    0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -1.5240    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5558    0.2734    0.3594 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