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
   -2.6931   -1.1819    0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559   -0.3363    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    1.0350    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357    1.7645    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    1.1692   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102    1.9286   -0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683   -0.1651   -0.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672   -0.8760   -0.0295 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   -0.8577   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2666   -0.3687   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -1.3803    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.6194   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185   -2.1285   -0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289    1.5243    0.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4526    2.8418    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765   -1.9282   -0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009    0.6381   -0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1113   -1.0593   -0.5292 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