(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol

C13H23NO3 — CID 79920363

IUPAC(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H23NO3/c15-12-1-5-14(10-12)11-2-6-17-13(9-11)3-7-16-8-4-13/h11-12,15H,1-10H2/t11?,12-/m1/s1
InChIKeySFXGPVKLXWZHFG-PIJUOVFKSA-N
MW241.33 g/mol
LogP0.78
Rot. Bonds1

About (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol

(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol (PubChem CID 79920363) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
PubChem CID79920363
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H23NO3/c15-12-1-5-14(10-12)11-2-6-17-13(9-11)3-7-16-8-4-13/h11-12,15H,1-10H2/t11?,12-/m1/s1
InChIKeySFXGPVKLXWZHFG-PIJUOVFKSA-N
XLogP0.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
(3S)-1-(oxolan-3-yl)pyrrolidin-3-ol
CID 115277616
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol (CID 79920363) is (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol is O[C@@H]1CCN(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol?
The InChIKey is SFXGPVKLXWZHFG-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12-1-5-14(10-12)11-2-6-17-13(9-11)3-7-16-8-4-13/h11-12,15H,1-10H2/t11?,12-/m1/s1.
What are the key properties of (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol?
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol has a molecular weight of 241.33 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 79920363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).