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
    2.5928   -1.2906   -0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537   -0.3722   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7148    0.9323    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113    1.7110    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6839    1.1865    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6646    1.9477    0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040   -0.0824   -0.0474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071   -0.8131   -0.2772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1629   -0.6915   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022   -0.2246    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418   -1.1436    0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477   -2.3482   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711   -1.1526   -1.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    1.3443    0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7186    2.7459    0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -1.6822   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2455   -0.7896    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    0.7230    0.7112 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