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
    2.3501   -1.2800    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -0.2729    0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    0.9617    0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    1.8771    0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8491    1.4789    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8516    2.2487    0.3224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.2641   -0.2209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660   -0.5772   -0.2273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131   -0.0928   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389   -1.2720   -1.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -2.0750   -0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5018   -1.6731    1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819   -0.7570   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346    1.2216    1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155    2.8531    1.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0404    0.5812   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5056   -1.9536   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816   -1.5330   -1.8250 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