| Canonical Smiles | C1CN(C(=O)N1)C2=CC=CC=C2[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-(2-nitrophenyl)imidazolidin-2-one |
| InChIKey | YBRKPAGSKIHGOY-UHFFFAOYSA-N |
| INCHI | 1S/C9H9N3O3/c13-9-10-5-6-11(9)7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,10,13) |
| Isomeric SMILES | C1CN(C(=O)N1)C2=CC=CC=C2[N+](=O)[O-] |
| PubChem CID | 318673 |
| Molecular Weight | 207.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Imidazolidinones Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylimidazolidine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Urea - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 207.190 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 207.064 Da |
| Monoisotopic Mass | 207.064 Da |
| Topological Polar Surface Area | 78.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
