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
2.6226 0.7574 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8512 -0.2786 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 -0.1057 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 1.0442 0.2578 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3838 1.2462 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2275 0.1617 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7199 -1.0555 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.1716 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1148 -2.2792 -0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2144 1.7002 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6732 0.6585 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2833 -1.2243 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 2.2212 0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2950 0.2407 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3938 -1.9151 -0.1346 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