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

C10H17NO2 — CID 143875837

IUPAC(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCC[C@H]1CCN2C(=O)OC[C@@H]2C1
InChIInChI=1S/C10H17NO2/c1-2-3-8-4-5-11-9(6-8)7-13-10(11)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyIHPAGNJNUFIBLY-IUCAKERBSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds2

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

(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 143875837) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID143875837
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCC[C@H]1CCN2C(=O)OC[C@@H]2C1
InChIInChI=1S/C10H17NO2/c1-2-3-8-4-5-11-9(6-8)7-13-10(11)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyIHPAGNJNUFIBLY-IUCAKERBSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 143875837) is (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CCC[C@H]1CCN2C(=O)OC[C@@H]2C1.
What is the InChIKey of (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is IHPAGNJNUFIBLY-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-8-4-5-11-9(6-8)7-13-10(11)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 183.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 143875837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).