(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C10H15NO3 — CID 130762608

IUPAC(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESC=CC[C@@H]1CC[C@H](O)[C@H]2COC(=O)N12
InChIInChI=1S/C10H15NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h2,7-9,12H,1,3-6H2/t7-,8-,9+/m1/s1
InChIKeyDMPKBJZGVJTCKW-HLTSFMKQSA-N
MW197.23 g/mol
LogP0.91
Rot. Bonds2

About (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 130762608) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID130762608
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESC=CC[C@@H]1CC[C@H](O)[C@H]2COC(=O)N12
InChIInChI=1S/C10H15NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h2,7-9,12H,1,3-6H2/t7-,8-,9+/m1/s1
InChIKeyDMPKBJZGVJTCKW-HLTSFMKQSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 130762608) is (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is C=CC[C@@H]1CC[C@H](O)[C@H]2COC(=O)N12.
What is the InChIKey of (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is DMPKBJZGVJTCKW-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h2,7-9,12H,1,3-6H2/t7-,8-,9+/m1/s1.
What are the key properties of (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 197.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S,8aR)-8-hydroxy-5-prop-2-enyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 130762608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).