| Sonrisas canónicas | C1=CC(=CC=C1C2=CC=C(O2)C=NN3C(C(=O)NC3=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-hydroxy-1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione |
| InChIKey | PGORTQZSSAZLCK-VIZOYTHASA-N |
| INCHI | 1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+ |
| Isómeros SMILES | C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-] |
| PubChem CID | 9577331 |
| Peso molecular | 330.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Semicarbazones Dicarboximides Furans Heteroaromatic compounds Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Alkanolamines Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Semicarbazone - Benzenoid - Heteroaromatic compound - Dicarboximide - Furan - Semicarbazide - Organic nitro compound - C-nitro compound - Carbonic acid derivative - Oxacycle - Alkanolamine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 238-270° C (dec.) |
|---|---|
| Peso molecular | 330.250 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.06 Da |
| Monoisotopic Mass | 330.06 Da |
| Topological Polar Surface Area | 141.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 554.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
