2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

C15H18N2O2 — CID 24999434

IUPAC2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1c1ccccc1
InChIInChI=1S/C15H18N2O2/c18-14-10-15(11-16-8-6-12(15)7-9-16)19-17(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyAFDISDXEZLMXMS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds1

About 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (PubChem CID 24999434) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.

Molecular Properties

Compound Name2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
PubChem CID24999434
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1c1ccccc1
InChIInChI=1S/C15H18N2O2/c18-14-10-15(11-16-8-6-12(15)7-9-16)19-17(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyAFDISDXEZLMXMS-UHFFFAOYSA-N
XLogP1.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The IUPAC name of 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (CID 24999434) is 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.
What is the SMILES notation for 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The canonical SMILES for 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is O=C1CC2(CN3CCC2CC3)ON1c1ccccc1.
What is the InChIKey of 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The InChIKey is AFDISDXEZLMXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-15(11-16-8-6-12(15)7-9-16)19-17(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one has a molecular weight of 258.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is sourced from PubChem (CID 24999434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).