1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C7H9NO2 — CID 58724366

IUPAC1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CC=CCN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h1-2,6H,3-5H2
InChIKeyZYYARDPIDHHMAD-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.77
Rot. Bonds

About 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 58724366) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID58724366
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CC=CCN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h1-2,6H,3-5H2
InChIKeyZYYARDPIDHHMAD-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 58724366) is 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OCC2CC=CCN12.
What is the InChIKey of 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is ZYYARDPIDHHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h1-2,6H,3-5H2.
What are the key properties of 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 139.15 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 58724366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).