6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C13H22N2O2 — CID 103355935

IUPAC6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CC23CCNCC3)C1
InChIInChI=1S/C13H22N2O2/c1-12(17)4-7-15(9-12)11(16)10-8-13(10)2-5-14-6-3-13/h10,14,17H,2-9H2,1H3
InChIKeyDOCKLMUVAYCFHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds1

About 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103355935) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103355935
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CC23CCNCC3)C1
InChIInChI=1S/C13H22N2O2/c1-12(17)4-7-15(9-12)11(16)10-8-13(10)2-5-14-6-3-13/h10,14,17H,2-9H2,1H3
InChIKeyDOCKLMUVAYCFHU-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533074
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492765
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
6-azaspiro[2.5]octan-2-yl-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 136584996

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103355935) is 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)C2CC23CCNCC3)C1.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is DOCKLMUVAYCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(17)4-7-15(9-12)11(16)10-8-13(10)2-5-14-6-3-13/h10,14,17H,2-9H2,1H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103355935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).