5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione

C15H25NO2 — CID 79321157

IUPAC5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1CCC2(CC1)CC(=O)NC(=O)C2CC
InChIInChI=1S/C15H25NO2/c1-3-5-11-6-8-15(9-7-11)10-13(17)16-14(18)12(15)4-2/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyYKMYQEUUKPTSGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.04
Rot. Bonds3

About 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione

5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79321157) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79321157
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCCC1CCC2(CC1)CC(=O)NC(=O)C2CC
InChIInChI=1S/C15H25NO2/c1-3-5-11-6-8-15(9-7-11)10-13(17)16-14(18)12(15)4-2/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyYKMYQEUUKPTSGQ-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.04
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 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione (CID 79321157) is 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione is CCCC1CCC2(CC1)CC(=O)NC(=O)C2CC.
What is the InChIKey of 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is YKMYQEUUKPTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-5-11-6-8-15(9-7-11)10-13(17)16-14(18)12(15)4-2/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione?
5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 251.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-propyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79321157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).