3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one

C10H17NO2 — CID 132549867

IUPAC3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
SMILESCC1(C)COC2(CCNC(=O)C2)C1
InChIInChI=1S/C10H17NO2/c1-9(2)6-10(13-7-9)3-4-11-8(12)5-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyHADWRWRSSKOUAY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds

About 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one

3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one (PubChem CID 132549867) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
PubChem CID132549867
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
SMILESCC1(C)COC2(CCNC(=O)C2)C1
InChIInChI=1S/C10H17NO2/c1-9(2)6-10(13-7-9)3-4-11-8(12)5-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyHADWRWRSSKOUAY-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144760089
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CID 59929903
1,4-dioxa-9-azaspiro[4.6]undecan-10-one
CID 146591450
3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one
CID 160842776
1,7,7-trimethyl-1,4-diazocan-5-one
CID 172596220
6,6-dimethyl-1,4-oxazepan-3-one
CID 149324923
3-azaspiro[5.5]undecane-4,9-dione
CID 178016231
6-tert-butyl-6-methyl-1,3-oxazinan-2-one
CID 105434756
9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
CID 67293081
4-(4-methylpiperidine-4-carbonyl)piperazin-2-one
CID 63121367
4,4-dimethyl-1-(4-methylpiperidin-4-yl)piperidine-2,6-dione
CID 114697504

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one?
The IUPAC name of 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one (CID 132549867) is 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one.
What is the SMILES notation for 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one?
The canonical SMILES for 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one is CC1(C)COC2(CCNC(=O)C2)C1.
What is the InChIKey of 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one?
The InChIKey is HADWRWRSSKOUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-10(13-7-9)3-4-11-8(12)5-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one?
3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one has a molecular weight of 183.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 132549867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).