7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one

C10H17NO2 — CID 106664326

IUPAC7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one
SMILESCC1CC(C)(C)CC12CNC(=O)O2
InChIInChI=1S/C10H17NO2/c1-7-4-9(2,3)5-10(7)6-11-8(12)13-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyPQKKTTGTXRPBRR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.92
Rot. Bonds

About 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one

7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one (PubChem CID 106664326) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one
PubChem CID106664326
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one
SMILESCC1CC(C)(C)CC12CNC(=O)O2
InChIInChI=1S/C10H17NO2/c1-7-4-9(2,3)5-10(7)6-11-8(12)13-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyPQKKTTGTXRPBRR-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7,7-trimethyl-1-azaspiro[3.4]octan-2-one
CID 106664189
8-(3,3-dimethylcyclopentyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154571916
8-methoxy-1-oxa-3-azaspiro[4.5]decan-2-one
CID 112704509
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
2,2,4,6-tetramethyl-8-azaspiro[4.5]decane-7,9-dione
CID 106664475
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
(5'R)-8'-methylspiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 130291505
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
5-(azidomethyl)-5-methyl-1,3-oxazolidin-2-one
CID 118272400
spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
CID 119099174
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675
9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one
CID 81313515

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The IUPAC name of 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one (CID 106664326) is 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one is CC1CC(C)(C)CC12CNC(=O)O2.
What is the InChIKey of 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
The InChIKey is PQKKTTGTXRPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-4-9(2,3)5-10(7)6-11-8(12)13-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one?
7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-1-oxa-3-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 106664326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).