2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one

C9H15NO2 — CID 12874034

IUPAC2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
SMILESCC12CCOC(C)(C)N1C(=O)C2
InChIInChI=1S/C9H15NO2/c1-8(2)10-7(11)6-9(10,3)4-5-12-8/h4-6H2,1-3H3
InChIKeyMHNZPPUKXIBOLG-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.13
Rot. Bonds

About 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one

2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one (PubChem CID 12874034) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
PubChem CID12874034
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
SMILESCC12CCOC(C)(C)N1C(=O)C2
InChIInChI=1S/C9H15NO2/c1-8(2)10-7(11)6-9(10,3)4-5-12-8/h4-6H2,1-3H3
InChIKeyMHNZPPUKXIBOLG-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one (CID 12874034) is 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one is CC12CCOC(C)(C)N1C(=O)C2.
What is the InChIKey of 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one?
The InChIKey is MHNZPPUKXIBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(2)10-7(11)6-9(10,3)4-5-12-8/h4-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one?
2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one has a molecular weight of 169.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 12874034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).