1-(((5-Amino-2-furanyl)methylene)amino)-2,4-imidazolidinedione
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Basic information
- CAS
21997-21-7- Standard SMILES
Nc1ccc(/C=N/N2CC(=O)NC2=O)o1- InChIKey
KLJOOBXQOIHZQM-UHFFFAOYSA-N- Molecular formula
- C8H8N4O3
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05964013
Overview
Aminofurantoin is an imidazolidine-2,4-dione.
Names & identifiers
- Preferred name
- 1-(((5-Amino-2-furanyl)methylene)amino)-2,4-imidazolidinedione
- IUPAC
- 1-[(E)-(5-aminofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
- English name
- 1-(((5-amino-2-furanyl)methylene)amino)-2,4-imidazolidinedione
- Molecular formula
- C8H8N4O3
- Molecular weight
- 208.17
Names & synonyms
21997-21-7AFMAI1-(((5-Amino-2-furanyl)methylene)amino)-2,4-imidazolidinedione2,4-Imidazolidinedione, 1-(((5-amino-2-furanyl)methylene)amino)-RefChem:73820Aminofurantoin1-(((5-Aminofuran-2-yl)methylene)amino)imidazolidine-2,4-dioneSCHEMBL26290031CHEBI:169244F5794621-[(E)-(5-aminofuran-2-yl)methylideneamino]imidazolidine-2,4-dione1-[(E)-(5-aminouran-2-yl)methylideneamino]imidazolidine-2,4-dione
Database identifiers
- CAS
21997-21-7- PubChem CID
- 9577282
- ChEBI
CHEBI:169244
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Nitrofurantoin
Physicochemical properties
- Melting point
- 242.4 °C · 242.4 °C
- Density
- 1.7 · 1.700±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.725 · 7.725±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Aminofurantoin is an imidazolidine-2,4-dione.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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