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

C12H19NO2 — CID 19814204

IUPAC3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C12H19NO2/c1-2-13-10(14)8-12(9-11(13)15)6-4-3-5-7-12/h2-9H2,1H3
InChIKeyWQZHLUOHVINZAL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds1

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

3-ethyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 19814204) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID19814204
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C12H19NO2/c1-2-13-10(14)8-12(9-11(13)15)6-4-3-5-7-12/h2-9H2,1H3
InChIKeyWQZHLUOHVINZAL-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
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-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione (CID 19814204) is 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione is CCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is WQZHLUOHVINZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-13-10(14)8-12(9-11(13)15)6-4-3-5-7-12/h2-9H2,1H3.
What are the key properties of 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione?
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 209.29 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 19814204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).