2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione

C16H23NO3 — CID 79672322

IUPAC2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CCC(N2C(=O)CC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C16H23NO3/c18-13-7-5-12(6-8-13)17-14(19)11-16(15(17)20)9-3-1-2-4-10-16/h12H,1-11H2
InChIKeyJUTCBGSUFGVRJW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 79672322) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID79672322
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESO=C1CCC(N2C(=O)CC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C16H23NO3/c18-13-7-5-12(6-8-13)17-14(19)11-16(15(17)20)9-3-1-2-4-10-16/h12H,1-11H2
InChIKeyJUTCBGSUFGVRJW-UHFFFAOYSA-N
XLogP2.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
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 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 79672322) is 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione is O=C1CCC(N2C(=O)CC3(CCCCCC3)C2=O)CC1.
What is the InChIKey of 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is JUTCBGSUFGVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-13-7-5-12(6-8-13)17-14(19)11-16(15(17)20)9-3-1-2-4-10-16/h12H,1-11H2.
What are the key properties of 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 277.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocyclohexyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 79672322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).