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
   -2.0117   -1.7254    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -0.4541    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323    0.7867    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791    1.8808    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    1.6971    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204    2.7099    0.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    0.4745   -0.0172 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -0.5576   -0.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3532    0.2696   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342   -0.9561   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5131   -2.3887   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -2.1626    1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0568   -1.4905   -0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974    0.8518    0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281    2.8506    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    1.1544   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957   -1.8247   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9006   -1.1156   -0.1657 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