(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol

C13H23NO2 — CID 79920655

IUPAC(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C13H23NO2/c15-12-3-7-14(10-12)11-4-8-16-13(9-11)5-1-2-6-13/h11-12,15H,1-10H2/t11?,12-/m0/s1
InChIKeyNXHFFOVCGFKCCT-KIYNQFGBSA-N
MW225.33 g/mol
LogP1.54
Rot. Bonds1

About (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol

(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol (PubChem CID 79920655) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
PubChem CID79920655
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol
SMILESO[C@H]1CCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C13H23NO2/c15-12-3-7-14(10-12)11-4-8-16-13(9-11)5-1-2-6-13/h11-12,15H,1-10H2/t11?,12-/m0/s1
InChIKeyNXHFFOVCGFKCCT-KIYNQFGBSA-N
XLogP1.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol (CID 79920655) is (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol is O[C@H]1CCN(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol?
The InChIKey is NXHFFOVCGFKCCT-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12-3-7-14(10-12)11-4-8-16-13(9-11)5-1-2-6-13/h11-12,15H,1-10H2/t11?,12-/m0/s1.
What are the key properties of (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol?
(3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-3-ol is sourced from PubChem (CID 79920655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).