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
   -2.7935   -0.8657   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890   -0.1828    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    1.0935    0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983    1.7058    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659    1.0092    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    1.6268    0.6186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8704   -0.2262   -0.0609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433   -0.7887   -0.2128 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376   -0.9473   -0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -0.5815   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3457   -0.3991   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107   -1.9299   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3838   -0.9090    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4542    1.5710    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2392    2.7111    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456   -1.9797   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0498   -1.2698   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5945    0.3623    0.0102 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