5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one

C11H19NO2 — CID 58477005

IUPAC5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one
SMILESCNC12CCC(C)(COC1=O)C2(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)10(3)5-6-11(9,12-4)8(13)14-7-10/h12H,5-7H2,1-4H3
InChIKeyPTONYGHAWFNVEH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds1

About 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one

5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one (PubChem CID 58477005) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one
PubChem CID58477005
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one
SMILESCNC12CCC(C)(COC1=O)C2(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)10(3)5-6-11(9,12-4)8(13)14-7-10/h12H,5-7H2,1-4H3
InChIKeyPTONYGHAWFNVEH-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one?
The IUPAC name of 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one (CID 58477005) is 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one is CNC12CCC(C)(COC1=O)C2(C)C.
What is the InChIKey of 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one?
The InChIKey is PTONYGHAWFNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)10(3)5-6-11(9,12-4)8(13)14-7-10/h12H,5-7H2,1-4H3.
What are the key properties of 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one?
5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-1-(methylamino)-3-oxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 58477005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).