7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C11H21NO — CID 146263836

IUPAC7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC(C)CC1CCN2CCOC2C1
InChIInChI=1S/C11H21NO/c1-9(2)7-10-3-4-12-5-6-13-11(12)8-10/h9-11H,3-8H2,1-2H3
InChIKeyGGJMXLWGOXWDAV-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.10
Rot. Bonds2

About 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 146263836) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID146263836
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC(C)CC1CCN2CCOC2C1
InChIInChI=1S/C11H21NO/c1-9(2)7-10-3-4-12-5-6-13-11(12)8-10/h9-11H,3-8H2,1-2H3
InChIKeyGGJMXLWGOXWDAV-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 146263836) is 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is CC(C)CC1CCN2CCOC2C1.
What is the InChIKey of 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is GGJMXLWGOXWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-10-3-4-12-5-6-13-11(12)8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 183.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 146263836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).