3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C11H17NO2 — CID 118424371

IUPAC3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCC1(C)C2C(=O)N3C(COC3(C)C)C21
InChIInChI=1S/C11H17NO2/c1-10(2)7-6-5-14-11(3,4)12(6)9(13)8(7)10/h6-8H,5H2,1-4H3
InChIKeyVTPIXRNJPACVLZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.24
Rot. Bonds

About 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 118424371) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID118424371
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCC1(C)C2C(=O)N3C(COC3(C)C)C21
InChIInChI=1S/C11H17NO2/c1-10(2)7-6-5-14-11(3,4)12(6)9(13)8(7)10/h6-8H,5H2,1-4H3
InChIKeyVTPIXRNJPACVLZ-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 118424371) is 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is CC1(C)C2C(=O)N3C(COC3(C)C)C21.
What is the InChIKey of 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is VTPIXRNJPACVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)7-6-5-14-11(3,4)12(6)9(13)8(7)10/h6-8H,5H2,1-4H3.
What are the key properties of 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 195.26 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetramethyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 118424371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).