(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one

C11H17NO2 — CID 11819992

IUPAC(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
SMILESCC1(C)[C@@H]2CC[C@]13COC(=O)N[C@@H]3C2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10)6-14-9(13)12-8(11)5-7/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-,11-/m1/s1
InChIKeyGSQUHLHMWCQVSS-SOCHQFKDSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds

About (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one

(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one (PubChem CID 11819992) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one.

Molecular Properties

Compound Name(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
PubChem CID11819992
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
SMILESCC1(C)[C@@H]2CC[C@]13COC(=O)N[C@@H]3C2
InChIInChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10)6-14-9(13)12-8(11)5-7/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-,11-/m1/s1
InChIKeyGSQUHLHMWCQVSS-SOCHQFKDSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one with MolForge

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Related Compounds

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(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
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(1S,6R,8R)-5-[(2S,3S)-3-hydroxy-2,4,4-trimethylpentanoyl]-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
CID 10472264
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CID 13183373
4,11,11-trimethyl-5-oxa-3-thiatricyclo[6.2.1.01,6]undecane
CID 85316647
3-bromo-3,10,10-trimethyl-4-oxa-3λ4-selenatricyclo[5.2.1.01,5]decane
CID 139266190
5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
CID 144545689
(4S)-5,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one?
The IUPAC name of (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one (CID 11819992) is (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one.
What is the SMILES notation for (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one?
The canonical SMILES for (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one is CC1(C)[C@@H]2CC[C@]13COC(=O)N[C@@H]3C2.
What is the InChIKey of (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one?
The InChIKey is GSQUHLHMWCQVSS-SOCHQFKDSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-3-4-11(10)6-14-9(13)12-8(11)5-7/h7-8H,3-6H2,1-2H3,(H,12,13)/t7-,8-,11-/m1/s1.
What are the key properties of (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one?
(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one has a molecular weight of 195.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one is sourced from PubChem (CID 11819992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).