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
   -2.3080   -1.3383    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2211   -0.2951    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    1.0168    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    2.0179    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    1.5747    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6180    2.3953   -0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879    0.2611   -0.0923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0489   -0.6528   -0.0539 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -0.1236   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -1.4048   -0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395   -2.3269    0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -1.1286   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853   -1.1709    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208    1.3118    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    3.0592    0.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298    0.6428   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696   -2.1450   -0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594   -1.6936   -0.5504 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