7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one

C9H15NO2 — CID 164646665

IUPAC7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESCC1CC2(CC(=O)CO2)CN1C
InChIInChI=1S/C9H15NO2/c1-7-3-9(6-10(7)2)4-8(11)5-12-9/h7H,3-6H2,1-2H3
InChIKeyABBHJIDCFMVBMU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.44
Rot. Bonds

About 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one

7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one (PubChem CID 164646665) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one
PubChem CID164646665
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one
SMILESCC1CC2(CC(=O)CO2)CN1C
InChIInChI=1S/C9H15NO2/c1-7-3-9(6-10(7)2)4-8(11)5-12-9/h7H,3-6H2,1-2H3
InChIKeyABBHJIDCFMVBMU-UHFFFAOYSA-N
XLogP0.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 164646664
7,8-dimethyl-2-oxa-7-azaspiro[4.4]nonane-1,3-dione
CID 81468530
5-oxaspiro[3.4]octan-7-one
CID 122163504
7-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylic acid
CID 130302935
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017
(7R)-2,7,8-trimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 176639327
(2R)-1,2,4,4-tetramethylpyrrolidine
CID 93499502
(3R)-2,3,7,9-tetramethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 130401910
8-prop-2-enoyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 154587219
5,6-dimethyl-5-azaspiro[2.4]heptane;ethane
CID 144912069
ethane;9-methyl-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-one
CID 91534609
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
CID 90327705

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The IUPAC name of 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one (CID 164646665) is 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one is CC1CC2(CC(=O)CO2)CN1C.
What is the InChIKey of 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
The InChIKey is ABBHJIDCFMVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-3-9(6-10(7)2)4-8(11)5-12-9/h7H,3-6H2,1-2H3.
What are the key properties of 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one?
7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-oxa-7-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 164646665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).