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
   -2.6894   -1.0496    0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751   -0.2556    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    1.0505   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817    1.7407   -0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765    1.1290   -0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062    1.7863   -0.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831   -0.1493   -0.2086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584   -0.8004    0.0833 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -0.8730   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -0.4839   -0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724   -0.8228   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -2.1498    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0286   -0.8626    1.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5739    1.5573   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4778    2.7817   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101   -1.9409    0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1412   -1.1562   -0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    0.4987   -0.6266 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