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
   -2.1740    1.4415    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178    0.3374    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218   -0.9814    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154   -1.9733    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -1.6651   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4532   -2.5434   -0.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9531   -0.3501   -0.2694 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    0.5677    0.0257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    0.0362   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6266    1.2936   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363    1.4195    1.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684    2.3897    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167    1.2609    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602   -1.2583    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050   -3.0142    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9985   -0.7145   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    1.6477   -0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    2.1060   -0.3193 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