3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine

C12H21NO2 — CID 79894162

IUPAC3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
SMILESC1CC2(C1)CC(OC1CCNC1)CCO2
InChIInChI=1S/C12H21NO2/c1-4-12(5-1)8-10(3-7-14-12)15-11-2-6-13-9-11/h10-11,13H,1-9H2
InChIKeyHJUQUXALNOGPML-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds2

About 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine

3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine (PubChem CID 79894162) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
PubChem CID79894162
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
SMILESC1CC2(C1)CC(OC1CCNC1)CCO2
InChIInChI=1S/C12H21NO2/c1-4-12(5-1)8-10(3-7-14-12)15-11-2-6-13-9-11/h10-11,13H,1-9H2
InChIKeyHJUQUXALNOGPML-UHFFFAOYSA-N
XLogP1.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474
3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
CID 79894785
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)cyclobutyl]methanamine
CID 79894716
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate
CID 96581378
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)piperidine
CID 112563277
1-(5-oxaspiro[3.5]nonan-8-yl)-1-piperidin-3-ylethanol
CID 79902312

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine (CID 79894162) is 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine is C1CC2(C1)CC(OC1CCNC1)CCO2.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine?
The InChIKey is HJUQUXALNOGPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-12(5-1)8-10(3-7-14-12)15-11-2-6-13-9-11/h10-11,13H,1-9H2.
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine?
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine has a molecular weight of 211.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine is sourced from PubChem (CID 79894162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).