7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H13FN2O3 — CID 115946884

IUPAC7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C14H13FN2O3/c15-10-3-1-2-9(8-10)4-7-17-12(19)14(5-6-14)11(18)16-13(17)20/h1-3,8H,4-7H2,(H,16,18,20)
InChIKeyWQSHSXUIGHCHLG-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.23
Rot. Bonds3

About 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946884) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946884
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C14H13FN2O3/c15-10-3-1-2-9(8-10)4-7-17-12(19)14(5-6-14)11(18)16-13(17)20/h1-3,8H,4-7H2,(H,16,18,20)
InChIKeyWQSHSXUIGHCHLG-UHFFFAOYSA-N
XLogP1.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946884) is 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1CCc1cccc(F)c1.
What is the InChIKey of 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is WQSHSXUIGHCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-10-3-1-2-9(8-10)4-7-17-12(19)14(5-6-14)11(18)16-13(17)20/h1-3,8H,4-7H2,(H,16,18,20).
What are the key properties of 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 276.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).