10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione

C12H19NO3 — CID 106874882

IUPAC10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCOC1CCCC2(CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C12H19NO3/c1-8-11(15)13-10(14)7-12(8)5-3-4-9(6-12)16-2/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeySWNUUJSFGXVXEH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.24
Rot. Bonds1

About 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione

10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106874882) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106874882
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCOC1CCCC2(CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C12H19NO3/c1-8-11(15)13-10(14)7-12(8)5-3-4-9(6-12)16-2/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeySWNUUJSFGXVXEH-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.24
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 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione (CID 106874882) is 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione is COC1CCCC2(CC(=O)NC(=O)C2C)C1.
What is the InChIKey of 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is SWNUUJSFGXVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-11(15)13-10(14)7-12(8)5-3-4-9(6-12)16-2/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione?
10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5-methyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106874882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).