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

C12H21NO — CID 104680489

IUPAC3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
SMILESC1CC2(C1)CC(C1CCNC1)CCO2
InChIInChI=1S/C12H21NO/c1-4-12(5-1)8-10(3-7-14-12)11-2-6-13-9-11/h10-11,13H,1-9H2
InChIKeyOIXXEXKSNVLZPY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds1

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

3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine (PubChem CID 104680489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
PubChem CID104680489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
SMILESC1CC2(C1)CC(C1CCNC1)CCO2
InChIInChI=1S/C12H21NO/c1-4-12(5-1)8-10(3-7-14-12)11-2-6-13-9-11/h10-11,13H,1-9H2
InChIKeyOIXXEXKSNVLZPY-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
CID 79894162
(3S)-3-[(3R)-oxolan-3-yl]pyrrolidine
CID 94398019
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
N,N-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)piperidine-2-carboxamide
CID 106780450
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
4-fluoro-4-(5-oxaspiro[3.5]nonan-8-yl)piperidine
CID 112563277
1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
1-(5-oxaspiro[3.5]nonan-8-yl)-1-piperidin-3-ylethanol
CID 79902312
3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
CID 79894785

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine (CID 104680489) is 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine is C1CC2(C1)CC(C1CCNC1)CCO2.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
The InChIKey is OIXXEXKSNVLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(5-1)8-10(3-7-14-12)11-2-6-13-9-11/h10-11,13H,1-9H2.
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine?
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine is sourced from PubChem (CID 104680489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).