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

C16H20N2O2 — CID 24999740

IUPAC2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-10-16(12-17-8-6-14(16)7-9-17)20-18(15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyBIBFTMYKYHWFLZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.81
Rot. Bonds2

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

2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (PubChem CID 24999740) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.

Molecular Properties

Compound Name2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
PubChem CID24999740
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESO=C1CC2(CN3CCC2CC3)ON1Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-10-16(12-17-8-6-14(16)7-9-17)20-18(15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyBIBFTMYKYHWFLZ-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The IUPAC name of 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (CID 24999740) is 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.
What is the SMILES notation for 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The canonical SMILES for 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is O=C1CC2(CN3CCC2CC3)ON1Cc1ccccc1.
What is the InChIKey of 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The InChIKey is BIBFTMYKYHWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-10-16(12-17-8-6-14(16)7-9-17)20-18(15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one has a molecular weight of 272.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is sourced from PubChem (CID 24999740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).