[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol

C13H23NO2 — CID 79919540

IUPAC[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c15-10-12-3-1-7-14(12)11-4-8-16-13(9-11)5-2-6-13/h11-12,15H,1-10H2/t11?,12-/m1/s1
InChIKeyQNDWXXSAXBHOQH-PIJUOVFKSA-N
MW225.33 g/mol
LogP1.54
Rot. Bonds2

About [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol (PubChem CID 79919540) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol
PubChem CID79919540
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H23NO2/c15-10-12-3-1-7-14(12)11-4-8-16-13(9-11)5-2-6-13/h11-12,15H,1-10H2/t11?,12-/m1/s1
InChIKeyQNDWXXSAXBHOQH-PIJUOVFKSA-N
XLogP1.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol (CID 79919540) is [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1C1CCOC2(CCC2)C1.
What is the InChIKey of [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol?
The InChIKey is QNDWXXSAXBHOQH-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-12-3-1-7-14(12)11-4-8-16-13(9-11)5-2-6-13/h11-12,15H,1-10H2/t11?,12-/m1/s1.
What are the key properties of [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79919540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).