(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol

C12H21NO2 — CID 79920758

IUPAC(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C12H21NO2/c14-11-2-6-13(9-11)10-3-7-15-12(8-10)4-1-5-12/h10-11,14H,1-9H2/t10?,11-/m0/s1
InChIKeyOHVZEPICVWZBPT-DTIOYNMSSA-N
MW211.30 g/mol
LogP1.15
Rot. Bonds1

About (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol

(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol (PubChem CID 79920758) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol
PubChem CID79920758
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C12H21NO2/c14-11-2-6-13(9-11)10-3-7-15-12(8-10)4-1-5-12/h10-11,14H,1-9H2/t10?,11-/m0/s1
InChIKeyOHVZEPICVWZBPT-DTIOYNMSSA-N
XLogP1.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol (CID 79920758) is (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol is O[C@H]1CCN(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol?
The InChIKey is OHVZEPICVWZBPT-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-2-6-13(9-11)10-3-7-15-12(8-10)4-1-5-12/h10-11,14H,1-9H2/t10?,11-/m0/s1.
What are the key properties of (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol?
(3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol has a molecular weight of 211.30 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidin-3-ol is sourced from PubChem (CID 79920758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).