2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one

C10H12N2O3 — CID 104751388

IUPAC2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CCOC1
InChIInChI=1S/C10H12N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8H,3,5-7H2
InChIKeyWUYHZEGKSYNRKF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.15
Rot. Bonds3

About 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one

2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one (PubChem CID 104751388) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
PubChem CID104751388
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CCOC1
InChIInChI=1S/C10H12N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8H,3,5-7H2
InChIKeyWUYHZEGKSYNRKF-UHFFFAOYSA-N
XLogP-0.15
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
CID 104751389
4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104751404
2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
CID 121178227
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
CID 104751613
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 55127113
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[2-oxo-2-(oxolan-3-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 113448922

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one (CID 104751388) is 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)C1CCOC1.
What is the InChIKey of 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The InChIKey is WUYHZEGKSYNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(8-3-5-15-7-8)6-12-10(14)2-1-4-11-12/h1-2,4,8H,3,5-7H2.
What are the key properties of 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one?
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one has a molecular weight of 208.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 104751388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).