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
-2.6252 -0.8599 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8882 0.2298 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 0.1033 -0.0418 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1466 -1.0604 -0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4710 -1.2202 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2610 -0.1183 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6695 1.1288 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2980 1.1960 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 2.3419 0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6968 -0.7634 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1650 -1.8319 -0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3298 1.2109 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9575 -2.1905 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3321 -0.1751 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 2.0088 0.3706 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