| Canonical Smiles | CC1(C(=O)NC(=O)N1)C2CCCCC2 |
|---|---|
| IUPAC Name | 5-cyclohexyl-5-methylimidazolidine-2,4-dione |
| InChIKey | YBMOLUUAPATTDX-UHFFFAOYSA-N |
| INCHI | 1S/C10H16N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14) |
| Isomeric SMILES | CC1(C(=O)NC(=O)N1)C2CCCCC2 |
| Alternate CAS | 6326-77-8 |
| PubChem CID | 22785 |
| NSC Number | 30720 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - N-acyl urea - Ureide - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 196.250 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.121 Da |
| Monoisotopic Mass | 196.121 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
