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
   -2.2488   -1.4559    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2454   -0.3839    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307    0.8567   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7181    1.8635   -0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054    1.5747   -0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684    2.4830   -0.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9735    0.3653   -0.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671   -0.5935    0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    0.0733    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338   -1.0947    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1299   -1.2583   -0.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772   -1.4518    1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662   -2.4301    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963    1.0082   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    2.8364   -1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706    0.8336   -0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449   -1.9129    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746   -1.3137    0.7999 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