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
2.7006 -0.6101 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 0.3327 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 0.1462 0.0951 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0275 -0.9716 -0.4453 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 -1.2147 -0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2252 -0.2366 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 0.9392 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4226 1.0943 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 2.1616 0.9865 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3231 -1.5250 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 -0.5223 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 1.2495 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6962 -2.1410 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2820 -0.4079 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 1.7058 0.6215 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