8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine

C9H17NO — CID 122662743

IUPAC8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
SMILESCCC12CCCCN1COC2
InChIInChI=1S/C9H17NO/c1-2-9-5-3-4-6-10(9)8-11-7-9/h2-8H2,1H3
InChIKeyHIHTWGPSYMKJOZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.61
Rot. Bonds1

About 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine

8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 122662743) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
PubChem CID122662743
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine
SMILESCCC12CCCCN1COC2
InChIInChI=1S/C9H17NO/c1-2-9-5-3-4-6-10(9)8-11-7-9/h2-8H2,1H3
InChIKeyHIHTWGPSYMKJOZ-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine (CID 122662743) is 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine is CCC12CCCCN1COC2.
What is the InChIKey of 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is HIHTWGPSYMKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9-5-3-4-6-10(9)8-11-7-9/h2-8H2,1H3.
What are the key properties of 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine?
8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-1,3,5,6,7,8-hexahydro-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 122662743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).