2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

C13H21NO3 — CID 103860787

IUPAC2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1CCC1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO3/c15-12(9-11-3-1-4-11)14-6-2-5-13(10-14)16-7-8-17-13/h11H,1-10H2
InChIKeyOYCLXYPBPHHTHH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.54
Rot. Bonds2

About 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (PubChem CID 103860787) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
PubChem CID103860787
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1CCC1)N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21NO3/c15-12(9-11-3-1-4-11)14-6-2-5-13(10-14)16-7-8-17-13/h11H,1-10H2
InChIKeyOYCLXYPBPHHTHH-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (CID 103860787) is 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is O=C(CC1CCC1)N1CCCC2(C1)OCCO2.
What is the InChIKey of 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is OYCLXYPBPHHTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(9-11-3-1-4-11)14-6-2-5-13(10-14)16-7-8-17-13/h11H,1-10H2.
What are the key properties of 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 239.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 103860787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).