3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one

C13H21NO3 — CID 165497829

IUPAC3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CC(O)CCC12CCCC2
InChIInChI=1S/C13H21NO3/c15-10-3-6-13(4-1-2-5-13)11(9-10)14-7-8-17-12(14)16/h10-11,15H,1-9H2
InChIKeyJYDWREFHQLBSTL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds1

About 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one

3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one (PubChem CID 165497829) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one
PubChem CID165497829
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CC(O)CCC12CCCC2
InChIInChI=1S/C13H21NO3/c15-10-3-6-13(4-1-2-5-13)11(9-10)14-7-8-17-12(14)16/h10-11,15H,1-9H2
InChIKeyJYDWREFHQLBSTL-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one (CID 165497829) is 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one is O=C1OCCN1C1CC(O)CCC12CCCC2.
What is the InChIKey of 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one?
The InChIKey is JYDWREFHQLBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-10-3-6-13(4-1-2-5-13)11(9-10)14-7-8-17-12(14)16/h10-11,15H,1-9H2.
What are the key properties of 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one?
3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyspiro[4.5]decan-10-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 165497829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).