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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Related Compounds

CID 2078174
CID 2078174
CID 16012830
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CID 16283504
CID 16283504
CID 4782750
CID 4782750
CID 121437556
CID 121437556
CID 121437557
CID 121437557
CID 121437573
CID 121437573
CID 121437586
CID 121437586
CID 121437589
CID 121437589
CID 121437621
CID 121437621
CID 121437656
CID 121437656
CID 121437657
CID 121437657

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).