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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Related Compounds

(1S,5R)-1-amino-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 142709754
N-[(1R,6S)-1,9,9-trimethyl-4-oxo-3-oxabicyclo[4.2.1]nonan-6-yl]acetamide
CID 130315374
3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 89303981
(1S,5R)-1-(2,3-dihydropyrrole-1-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 11587008
(1S,5R)-1-(3,6-dihydro-2H-pyridine-1-carbonyl)-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 10858788
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
1-benzoyl-5-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102391621
3,3-dimethyloxetan-2-one;ethenone;formaldehyde
CID 165098325
(3,4,4-trimethyl-5-oxooxolan-3-yl) formate
CID 126663955
(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
CID 42303356
3,3-diethyl-5,5-dimethyl-4-(methylamino)morpholin-2-one
CID 142036948
(1S,5R)-1-[(2R)-2-ethylpiperidine-1-carbonyl]-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
CID 11781784

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).