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
   -2.3084   -0.8421    1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2471   -0.0794    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    1.0827   -0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777    1.7844   -1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    1.2641   -0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    1.8563   -1.5128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    0.1286   -0.2826 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -0.5408    0.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041   -0.3833   -0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018   -1.4960    0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653   -0.1955    1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9928   -1.2839    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637   -1.6842    1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5820    1.4692   -0.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411    2.6991   -1.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847    0.1581   -0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   -2.0292    0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949   -1.9080    0.4701 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