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

C7H9NO2 — CID 11062463

IUPAC(8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@@H]2CCC=CN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2/t6-/m0/s1
InChIKeyXUHIOFZVXGYEAK-LURJTMIESA-N
MW139.15 g/mol
LogP1.11
Rot. Bonds

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

(8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 11062463) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID11062463
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OC[C@@H]2CCC=CN12
InChIInChI=1S/C7H9NO2/c9-7-8-4-2-1-3-6(8)5-10-7/h2,4,6H,1,3,5H2/t6-/m0/s1
InChIKeyXUHIOFZVXGYEAK-LURJTMIESA-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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Related Compounds

3,4,4A,5-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazin-1-one
CID 11062461
7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 89525833
1,7,8,8a-Tetrahydro-3H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 13128360
(4R)-4-ethyl-3-[(E)-oct-1-enyl]-1,3-oxazolidin-2-one
CID 60170313
4-But-3-enyl-3-chloro-1,3-oxazolidin-2-one
CID 100956325
(1S,8aS)-1-ethyl-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 101051126
(8aS)-5-pent-4-enyl-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 101110415
(8aR)-5-pent-4-enyl-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 101110416

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 11062463) is (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OC[C@@H]2CCC=CN12.
What is the InChIKey of (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is XUHIOFZVXGYEAK-LURJTMIESA-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/t6-/m0/s1.
What are the key properties of (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(8aS)-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 (8aS)-1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 11062463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).