1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one

C13H23NO3 — CID 114874861

IUPAC1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H23NO3/c1-3-11(2)9-12(15)14-6-4-5-13(10-14)16-7-8-17-13/h11H,3-10H2,1-2H3
InChIKeyNVZNLUCUEHRZPG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds3

About 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one (PubChem CID 114874861) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
PubChem CID114874861
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H23NO3/c1-3-11(2)9-12(15)14-6-4-5-13(10-14)16-7-8-17-13/h11H,3-10H2,1-2H3
InChIKeyNVZNLUCUEHRZPG-UHFFFAOYSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)heptan-1-one
CID 115775416
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112602810
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103163779
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-[(1R,2R)-2-ethylcyclopropyl]methanone
CID 130782080
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 75391503
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
(5-chlorofuran-2-yl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103845819

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one (CID 114874861) is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one is CCC(C)CC(=O)N1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one?
The InChIKey is NVZNLUCUEHRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-11(2)9-12(15)14-6-4-5-13(10-14)16-7-8-17-13/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one?
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3-methylpentan-1-one is sourced from PubChem (CID 114874861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).