2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone

C14H23NO3 — CID 102852261

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)OCCO2)N1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(15-7-1-2-8-15)11-12-3-5-14(6-4-12)17-9-10-18-14/h12H,1-11H2
InChIKeyWENZRWTWTJISEG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.93
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone

2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 102852261) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
PubChem CID102852261
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)OCCO2)N1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(15-7-1-2-8-15)11-12-3-5-14(6-4-12)17-9-10-18-14/h12H,1-11H2
InChIKeyWENZRWTWTJISEG-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1-pyrrolidin-1-ylethanone
CID 131182071
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
2-((1R,3R,4''S,5R,5'S,7R)-Dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)-1-(piperidin-1-YL)ethan-1-one
CID 20801802
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
1-piperidin-1-yl-2-(thian-4-yl)ethanone
CID 71917750
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone (CID 102852261) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1CCC2(CC1)OCCO2)N1CCCC1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is WENZRWTWTJISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(15-7-1-2-8-15)11-12-3-5-14(6-4-12)17-9-10-18-14/h12H,1-11H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 253.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102852261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).