6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone

C13H22N2O2 — CID 155905775

IUPAC6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CCCCO2)C1
InChIInChI=1S/C13H22N2O2/c16-12(11-4-3-7-14-11)15-8-6-13(10-15)5-1-2-9-17-13/h11,14H,1-10H2/t11-,13?/m0/s1
InChIKeyJBBUHPQJFFPLQF-AMGKYWFPSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds1

About 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone

6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 155905775) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID155905775
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCC2(CCCCO2)C1
InChIInChI=1S/C13H22N2O2/c16-12(11-4-3-7-14-11)15-8-6-13(10-15)5-1-2-9-17-13/h11,14H,1-10H2/t11-,13?/m0/s1
InChIKeyJBBUHPQJFFPLQF-AMGKYWFPSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
8-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119816893
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245
morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 118444545
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119333374
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(E)-4-(6-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobut-2-enoic acid
CID 121202328
(E)-4-[(5R)-6-oxa-2-azaspiro[4.5]decan-2-yl]-4-oxobut-2-enoic acid
CID 129496364
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone (CID 155905775) is 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1)N1CCC2(CCCCO2)C1.
What is the InChIKey of 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is JBBUHPQJFFPLQF-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(11-4-3-7-14-11)15-8-6-13(10-15)5-1-2-9-17-13/h11,14H,1-10H2/t11-,13?/m0/s1.
What are the key properties of 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone?
6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 155905775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).