2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione

C15H25NO4 — CID 106159175

IUPAC2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCOCC(CCO)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H25NO4/c1-20-11-12(6-9-17)16-13(18)10-15(14(16)19)7-4-2-3-5-8-15/h12,17H,2-11H2,1H3
InChIKeyYPUOQPVOMYAAOE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione

2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 106159175) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID106159175
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCOCC(CCO)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H25NO4/c1-20-11-12(6-9-17)16-13(18)10-15(14(16)19)7-4-2-3-5-8-15/h12,17H,2-11H2,1H3
InChIKeyYPUOQPVOMYAAOE-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione (CID 106159175) is 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione is COCC(CCO)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is YPUOQPVOMYAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-20-11-12(6-9-17)16-13(18)10-15(14(16)19)7-4-2-3-5-8-15/h12,17H,2-11H2,1H3.
What are the key properties of 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 283.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methoxybutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 106159175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).