3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one

C8H13NO2 — CID 58019074

IUPAC3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one
SMILESCC1C2CN(C)CC1C(=O)O2
InChIInChI=1S/C8H13NO2/c1-5-6-3-9(2)4-7(5)11-8(6)10/h5-7H,3-4H2,1-2H3
InChIKeyGUNPYRPQIZDYKU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.11
Rot. Bonds

About 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one

3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one (PubChem CID 58019074) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one
PubChem CID58019074
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one
SMILESCC1C2CN(C)CC1C(=O)O2
InChIInChI=1S/C8H13NO2/c1-5-6-3-9(2)4-7(5)11-8(6)10/h5-7H,3-4H2,1-2H3
InChIKeyGUNPYRPQIZDYKU-UHFFFAOYSA-N
XLogP0.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one (CID 58019074) is 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one is CC1C2CN(C)CC1C(=O)O2.
What is the InChIKey of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one?
The InChIKey is GUNPYRPQIZDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6-3-9(2)4-7(5)11-8(6)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one?
3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 58019074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).