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

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
   -2.1078   -1.5999    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098   -0.4391    0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7814    0.8167    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272    1.8767   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216    1.6111   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962    2.5907   -0.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    0.3805   -0.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132   -0.6310   -0.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3489    0.1744   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -1.0007   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1510   -1.4032    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217   -1.8911    1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7555   -2.4082   -0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8605    0.9694    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298    2.8888   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    1.0469   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535   -1.1076   -0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3087   -1.8743   -0.2629 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