(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C7H9NO3 — CID 45083131

IUPAC(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@H]2[C@@H](O)C=CCN12
InChIInChI=1S/C7H9NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h1-2,5-6,9H,3-4H2/t5-,6-/m0/s1
InChIKeyHGLFTKVZIXIWEB-WDSKDSINSA-N
MW155.15 g/mol
LogP-0.26
Rot. Bonds

About (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 45083131) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID45083131
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@H]2[C@@H](O)C=CCN12
InChIInChI=1S/C7H9NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h1-2,5-6,9H,3-4H2/t5-,6-/m0/s1
InChIKeyHGLFTKVZIXIWEB-WDSKDSINSA-N
XLogP-0.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8S,8aS)-8-hydroxy-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 (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 45083131) is (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OC[C@H]2[C@@H](O)C=CCN12.
What is the InChIKey of (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is HGLFTKVZIXIWEB-WDSKDSINSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h1-2,5-6,9H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 155.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 45083131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).