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
2.7294 0.2820 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 -0.5899 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4401 -0.2066 -0.1391 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1304 0.9934 0.3215 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 1.4097 0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 0.5557 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 -0.7019 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6069 -1.0749 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3210 -2.2327 -0.7182 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5080 1.2688 0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 -0.0186 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9318 -1.5859 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3110 2.4048 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 0.8937 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 -1.3975 -0.0629 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