7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C7H11NO4 — CID 91429539

IUPAC7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2C(O)C(O)CCN12
InChIInChI=1S/C7H11NO4/c9-5-1-2-8-4(6(5)10)3-12-7(8)11/h4-6,9-10H,1-3H2
InChIKeyLIOATTDSTLNEGP-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.07
Rot. Bonds

About 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 91429539) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID91429539
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2C(O)C(O)CCN12
InChIInChI=1S/C7H11NO4/c9-5-1-2-8-4(6(5)10)3-12-7(8)11/h4-6,9-10H,1-3H2
InChIKeyLIOATTDSTLNEGP-UHFFFAOYSA-N
XLogP-1.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 91429539) is 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OCC2C(O)C(O)CCN12.
What is the InChIKey of 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is LIOATTDSTLNEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-5-1-2-8-4(6(5)10)3-12-7(8)11/h4-6,9-10H,1-3H2.
What are the key properties of 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 173.17 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 91429539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).