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
   -2.7380   -1.1030    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957   -0.3009    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6065    1.0262   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    1.7339   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080    1.1163   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300    1.8457   -0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -0.1669    0.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.8253    0.2209 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -0.8296    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2977   -0.3752    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5515   -2.0721   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6159   -0.5869   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7864   -1.3420    1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    1.4639   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4871    2.7752   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007   -1.9145    0.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5672    0.6111   -0.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -1.0559    0.3083 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