2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione

C13H21NO3 — CID 79028131

IUPAC2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
SMILESC[C@H](CO)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-10(9-15)14-11(16)8-13(12(14)17)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyIEEUZIVISCFEPA-SNVBAGLBSA-N
MW239.31 g/mol
LogP1.47
Rot. Bonds2

About 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione

2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 79028131) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID79028131
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
SMILESC[C@H](CO)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C13H21NO3/c1-10(9-15)14-11(16)8-13(12(14)17)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyIEEUZIVISCFEPA-SNVBAGLBSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione (CID 79028131) is 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione is C[C@H](CO)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is IEEUZIVISCFEPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(9-15)14-11(16)8-13(12(14)17)6-4-2-3-5-7-13/h10,15H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione?
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 239.31 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 2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 79028131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).