Monomers
2-Vinylpyridazine-3(2H)-one
Identifiers
IUPAC name
2-ethenylpyridazin-3-one
InchI
InChI=1S/C6H6N2O/c1-2-8-6(9)4-3-5-7-8/h2-5H,1H2
InchI Key
YPRGCFKFJAQQFV-UHFFFAOYSA-N
SMILES
C=Cn1ncccc1=O
Canonical SMILES
C=CN1C(=O)C=CC=N1
Isomeric SMILES
C=CN1C(=O)C=CC=N1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6N2O
Heavy Atom Count
9
Molecular Weight
122.127
Exact Molecular Weight
122.048
Valence Electrons
46
Radical Electrons
0
tPSA
34.89
MolLogP
0.3438
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
15 15 0 0 0 0 0 0 0 0999 V2000
2.7606 0.1227 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7584 -0.6676 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3907 -0.3590 0.1304 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5261 -1.3093 0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -1.1173 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3678 0.0885 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 1.0882 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 0.8114 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6738 1.7621 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7619 1.1449 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -0.2790 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 -1.7093 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5555 -1.9131 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4395 0.2630 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8060 2.0737 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers