(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C7H11NO3 — CID 11378639

IUPAC(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C7H11NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h5-6,9H,1-4H2/t5-,6+/m0/s1
InChIKeyPNSPBQYQJUZLQH-NTSWFWBYSA-N
MW157.17 g/mol
LogP-0.04
Rot. Bonds

About (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 11378639) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID11378639
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C7H11NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h5-6,9H,1-4H2/t5-,6+/m0/s1
InChIKeyPNSPBQYQJUZLQH-NTSWFWBYSA-N
XLogP-0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[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

Related Compounds

3-(2-hydroxycyclohexyl)-1,3-oxazolidin-2-one
CID 22949482
(9R,9aR)-9-hydroxy-5,6,9,9a-tetrahydro-1H-[1,3]oxazolo[3,4-a]azepin-3-one
CID 130977924
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
3-(4-hydroxyoxolan-3-yl)-1,3-oxazolidin-2-one
CID 130715193
[(10S,10aR)-3-oxo-1,5,6,7,8,9,10,10a-octahydro-[1,3]oxazolo[3,4-a]azocin-10-yl] benzoate
CID 11833102
(1R,2S,6R,7S)-7-hydroxy-4-methylidene-4-oxo-3,5,11-trioxa-4λ6-thia-9-azatricyclo[7.3.0.02,6]dodecan-10-one
CID 160655162
7,8-dihydroxy-1,5,6,7,8,9,10,10b-octahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 20660490
(7R,8S,10bS)-7,8-dihydroxy-1,5,6,7,8,9,10,10b-octahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 11107022
(1S,2R,8S,8aR)-1,2,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131201882
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazepan-2-one;hydrochloride
CID 175007137
(9aR)-2,3,4,5,9,9a-hexahydro-1H-[1,3]oxazolo[3,4-a][1,3]diazepin-7-one
CID 125477043
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 11378639) is (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OC[C@H]2[C@H](O)CCCN12.
What is the InChIKey of (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is PNSPBQYQJUZLQH-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-2-1-3-8-5(6)4-11-7(8)10/h5-6,9H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 157.17 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-hydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 11378639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).