7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C9H13NO2 — CID 15601878

IUPAC7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCC1(C)OCC2C3CC3C(=O)N21
InChIInChI=1S/C9H13NO2/c1-9(2)10-7(4-12-9)5-3-6(5)8(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVWEAMIQKYZZILF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.60
Rot. Bonds

About 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 15601878) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID15601878
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCC1(C)OCC2C3CC3C(=O)N21
InChIInChI=1S/C9H13NO2/c1-9(2)10-7(4-12-9)5-3-6(5)8(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVWEAMIQKYZZILF-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7R,7AS)-3,3,7-Trimethyltetrahydro-3H,5H-pyrrolo[1,2-C]oxazol-5-one
CID 118414533
(1R,2R,4S,7S)-7-tert-butyl-1-methyl-9-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 370889
(6R,7S,7aS)-7-cyclopropyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414154
(6R,7aS)-6-fluoro-6-(2-fluoroethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414299
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414398
(6S,7S,7aS)-7-cyclopropyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414441
(6R,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414509
1-Fluoro-7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 142031233
6-fluoro-6-(2-fluoroethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734565
7-Cyclopropyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734574
6-ethyl-6-fluoro-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734626
(6S,7S,7aS)-6-fluoro-3,3-dimethyl-7-propyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 166801089

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 15601878) is 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is CC1(C)OCC2C3CC3C(=O)N21.
What is the InChIKey of 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is VWEAMIQKYZZILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2)10-7(4-12-9)5-3-6(5)8(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 167.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 15601878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).