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
2.5636 1.0455 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9109 -0.0693 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 -0.0795 -0.1886 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2156 1.0480 -0.0907 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 1.0942 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2803 -0.0705 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6013 -1.2676 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 -1.2309 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4337 -2.2893 -0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6304 1.0591 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 1.9712 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4421 -1.0083 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1233 2.0201 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3680 -0.0244 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1228 -2.1983 -0.5251 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