2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one

C13H21NO4 — CID 155929530

IUPAC2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
SMILESCC(O)(C(=O)N1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C13H21NO4/c1-12(16,10-2-3-10)11(15)14-6-4-13(5-7-14)17-8-9-18-13/h10,16H,2-9H2,1H3
InChIKeyUOGNDXRCRHFLSD-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.51
Rot. Bonds2

About 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one

2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one (PubChem CID 155929530) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
PubChem CID155929530
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
SMILESCC(O)(C(=O)N1CCC2(CC1)OCCO2)C1CC1
InChIInChI=1S/C13H21NO4/c1-12(16,10-2-3-10)11(15)14-6-4-13(5-7-14)17-8-9-18-13/h10,16H,2-9H2,1H3
InChIKeyUOGNDXRCRHFLSD-UHFFFAOYSA-N
XLogP0.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 78958483
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-3-oxopropanamide
CID 108964719
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2,3-diphenylpropan-1-one
CID 110299392
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108965177
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyloxolan-2-yl)methanone
CID 81448721
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one?
The IUPAC name of 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one (CID 155929530) is 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one is CC(O)(C(=O)N1CCC2(CC1)OCCO2)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one?
The InChIKey is UOGNDXRCRHFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(16,10-2-3-10)11(15)14-6-4-13(5-7-14)17-8-9-18-13/h10,16H,2-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one?
2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one has a molecular weight of 255.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 155929530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).