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
   -2.2672   -1.8525   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942   -0.7181   -0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    0.5176    0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248    1.5379    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433    1.3377    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    2.3138    0.3699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985    0.1373   -0.0818 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0202   -0.8911   -0.2498 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2619   -0.1796   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156    0.5424    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1897   -2.5826    0.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -1.4799   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9506   -2.3959   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988    0.6199    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854    2.5226    0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -1.1227   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086    1.4616    0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700    0.2318    0.0745 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