2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one

C9H15NO2 — CID 166026899

IUPAC2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC1CC2(C1)NC(=O)OC2(C)C
InChIInChI=1S/C9H15NO2/c1-6-4-9(5-6)8(2,3)12-7(11)10-9/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHMDMNXKYDRFHTD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.67
Rot. Bonds

About 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one

2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 166026899) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID166026899
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESCC1CC2(C1)NC(=O)OC2(C)C
InChIInChI=1S/C9H15NO2/c1-6-4-9(5-6)8(2,3)12-7(11)10-9/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyHMDMNXKYDRFHTD-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one (CID 166026899) is 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one is CC1CC2(C1)NC(=O)OC2(C)C.
What is the InChIKey of 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is HMDMNXKYDRFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-9(5-6)8(2,3)12-7(11)10-9/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one?
2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 169.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 166026899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).