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

C13H21NO2 — CID 79321543

IUPAC3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC1CCC2(CC(=O)NC(=O)C2CC)C1
InChIInChI=1S/C13H21NO2/c1-3-9-5-6-13(7-9)8-11(15)14-12(16)10(13)4-2/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYLZCVACREHYLPI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds2

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

3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79321543) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79321543
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione
SMILESCCC1CCC2(CC(=O)NC(=O)C2CC)C1
InChIInChI=1S/C13H21NO2/c1-3-9-5-6-13(7-9)8-11(15)14-12(16)10(13)4-2/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyYLZCVACREHYLPI-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
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 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione (CID 79321543) is 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione is CCC1CCC2(CC(=O)NC(=O)C2CC)C1.
What is the InChIKey of 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is YLZCVACREHYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-5-6-13(7-9)8-11(15)14-12(16)10(13)4-2/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione?
3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 223.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diethyl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79321543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).