1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C7H9NO2 — CID 13128360

IUPAC1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CCC=CN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2
InChIKeyXUHIOFZVXGYEAK-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.11
Rot. Bonds

About 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 13128360) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID13128360
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CCC=CN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2
InChIKeyXUHIOFZVXGYEAK-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 13128360) is 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OCC2CCC=CN12.
What is the InChIKey of 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is XUHIOFZVXGYEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2.
What are the key properties of 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 139.15 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 13128360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).