2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

C18H24N2O2 — CID 24999435

IUPAC2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESCc1cc(C)c(N2OC3(CC2=O)CN2CCC3CC2)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-12-8-13(2)17(14(3)9-12)20-16(21)10-18(22-20)11-19-6-4-15(18)5-7-19/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyRWRPCAPHTALENU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one

2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (PubChem CID 24999435) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
PubChem CID24999435
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one
SMILESCc1cc(C)c(N2OC3(CC2=O)CN2CCC3CC2)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-12-8-13(2)17(14(3)9-12)20-16(21)10-18(22-20)11-19-6-4-15(18)5-7-19/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyRWRPCAPHTALENU-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The IUPAC name of 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one (CID 24999435) is 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is Cc1cc(C)c(N2OC3(CC2=O)CN2CCC3CC2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
The InChIKey is RWRPCAPHTALENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-8-13(2)17(14(3)9-12)20-16(21)10-18(22-20)11-19-6-4-15(18)5-7-19/h8-9,15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one?
2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one has a molecular weight of 300.40 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-one is sourced from PubChem (CID 24999435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).