3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione

C12H19NO2 — CID 79317229

IUPAC3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC1CCC2(CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C12H19NO2/c1-3-9-4-5-12(6-9)7-10(14)13-11(15)8(12)2/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXHIYHYNJYIGOPE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds1

About 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione

3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79317229) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79317229
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC1CCC2(CC(=O)NC(=O)C2C)C1
InChIInChI=1S/C12H19NO2/c1-3-9-4-5-12(6-9)7-10(14)13-11(15)8(12)2/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXHIYHYNJYIGOPE-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione (CID 79317229) is 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione is CCC1CCC2(CC(=O)NC(=O)C2C)C1.
What is the InChIKey of 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is XHIYHYNJYIGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-9-4-5-12(6-9)7-10(14)13-11(15)8(12)2/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione?
3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 209.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-10-methyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79317229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).