5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one

C10H15NO2 — CID 123234429

IUPAC5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
SMILESCC1(C)OCC2C3CC(C3)C(=O)N21
InChIInChI=1S/C10H15NO2/c1-10(2)11-8(5-13-10)6-3-7(4-6)9(11)12/h6-8H,3-5H2,1-2H3
InChIKeyJTAFXUINGKGWHT-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.99
Rot. Bonds

About 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one

5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one (PubChem CID 123234429) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one.

Molecular Properties

Compound Name5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
PubChem CID123234429
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one
SMILESCC1(C)OCC2C3CC(C3)C(=O)N21
InChIInChI=1S/C10H15NO2/c1-10(2)11-8(5-13-10)6-3-7(4-6)9(11)12/h6-8H,3-5H2,1-2H3
InChIKeyJTAFXUINGKGWHT-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7R,7aS)-7-cyclopropyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 70891075
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414202
(7R,7aS)-7-ethyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414083
(3R,5S,7S)-10,10-dimethyl-9-oxa-1-azatricyclo[5.3.0.03,5]decan-2-one
CID 126969517
(7S,7aS)-6-azido-7-ethyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414256
6-(3-hydroxyoxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734611
6-cyclohexyl-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 23322316
6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734623
(6R,8aS)-3,3,6-trimethyl-6,7,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-5-one
CID 15402243
(7S,7aS)-7-[(2R)-but-3-en-2-yl]-3,3-dimethyl-7,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-5-one
CID 10330790
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
(6R,7S)-7-[(1R)-1-hydroxyethyl]-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
CID 13065610

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one?
The IUPAC name of 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one (CID 123234429) is 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one.
What is the SMILES notation for 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one?
The canonical SMILES for 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one is CC1(C)OCC2C3CC(C3)C(=O)N21.
What is the InChIKey of 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one?
The InChIKey is JTAFXUINGKGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2)11-8(5-13-10)6-3-7(4-6)9(11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one?
5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one has a molecular weight of 181.23 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-oxa-6-azatricyclo[6.1.1.02,6]decan-7-one is sourced from PubChem (CID 123234429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).