3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione

C15H16FN3O2 — CID 58792070

IUPAC3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CN3CCC2CC3)C(=O)N1c1ccccc1F
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-2-4-12(11)19-13(20)15(17-14(19)21)9-18-7-5-10(15)6-8-18/h1-4,10H,5-9H2,(H,17,21)
InChIKeyXSIGRRUKDQWILX-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.35
Rot. Bonds1

About 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione

3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione (PubChem CID 58792070) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
PubChem CID58792070
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CN3CCC2CC3)C(=O)N1c1ccccc1F
InChIInChI=1S/C15H16FN3O2/c16-11-3-1-2-4-12(11)19-13(20)15(17-14(19)21)9-18-7-5-10(15)6-8-18/h1-4,10H,5-9H2,(H,17,21)
InChIKeyXSIGRRUKDQWILX-UHFFFAOYSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione (CID 58792070) is 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CN3CCC2CC3)C(=O)N1c1ccccc1F.
What is the InChIKey of 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is XSIGRRUKDQWILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-3-1-2-4-12(11)19-13(20)15(17-14(19)21)9-18-7-5-10(15)6-8-18/h1-4,10H,5-9H2,(H,17,21).
What are the key properties of 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 289.31 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58792070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).