9-oxa-1-azaspiro[5.5]undecan-3-one

C9H15NO2 — CID 155894731

IUPAC9-oxa-1-azaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCOCC2)NC1
InChIInChI=1S/C9H15NO2/c11-8-1-2-9(10-7-8)3-5-12-6-4-9/h10H,1-7H2
InChIKeyADIUPYIXFKWMCD-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.49
Rot. Bonds

About 9-oxa-1-azaspiro[5.5]undecan-3-one

9-oxa-1-azaspiro[5.5]undecan-3-one (PubChem CID 155894731) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 9-oxa-1-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-oxa-1-azaspiro[5.5]undecan-3-one
PubChem CID155894731
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name9-oxa-1-azaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCOCC2)NC1
InChIInChI=1S/C9H15NO2/c11-8-1-2-9(10-7-8)3-5-12-6-4-9/h10H,1-7H2
InChIKeyADIUPYIXFKWMCD-UHFFFAOYSA-N
XLogP0.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxa-1-azaspiro[4.4]nonan-3-one
CID 115011406
1-azaspiro[2.5]octan-6-one
CID 141436270
7-oxa-1-azaspiro[3.5]nonane;hydrochloride
CID 122163983
6-fluoro-6-methylpiperidin-3-one
CID 174899088
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 170903891
7-oxaspiro[3.5]nonan-2-one
CID 67451909
1,4-dioxa-10-azaspiro[4.6]undecan-8-one
CID 142430356
3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one;oxan-4-one;1,2,2,6,6-pentamethylpiperidin-4-one
CID 160921815
9-oxa-1,4-diazaspiro[5.5]undecane
CID 57376974
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane;dihydrochloride
CID 138015579

Frequently Asked Questions

What is the IUPAC name of 9-oxa-1-azaspiro[5.5]undecan-3-one?
The IUPAC name of 9-oxa-1-azaspiro[5.5]undecan-3-one (CID 155894731) is 9-oxa-1-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-oxa-1-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-oxa-1-azaspiro[5.5]undecan-3-one is O=C1CCC2(CCOCC2)NC1.
What is the InChIKey of 9-oxa-1-azaspiro[5.5]undecan-3-one?
The InChIKey is ADIUPYIXFKWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8-1-2-9(10-7-8)3-5-12-6-4-9/h10H,1-7H2.
What are the key properties of 9-oxa-1-azaspiro[5.5]undecan-3-one?
9-oxa-1-azaspiro[5.5]undecan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-1-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155894731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).