2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

C15H17ClN2O2 — CID 24999436

IUPAC2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c16-12-1-3-13(4-2-12)18-14(19)9-15(20-18)10-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2
InChIKeyFEPUXJBHWOUFRE-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (PubChem CID 24999436) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
PubChem CID24999436
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c16-12-1-3-13(4-2-12)18-14(19)9-15(20-18)10-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2
InChIKeyFEPUXJBHWOUFRE-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The IUPAC name of 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (CID 24999436) is 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The canonical SMILES for 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is O=C1CC2(CN3CCC2CC3)ON1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The InChIKey is FEPUXJBHWOUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-1-3-13(4-2-12)18-14(19)9-15(20-18)10-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2.
What are the key properties of 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is sourced from PubChem (CID 24999436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).