| Canonical Smiles | C1CC(=O)NC1CN=[N+]=[N-] |
|---|---|
| IUPAC Name | 5-(azidomethyl)pyrrolidin-2-one |
| InChIKey | OAVJCEIEHVAIIV-UHFFFAOYSA-N |
| INCHI | 1S/C5H8N4O/c6-9-7-3-4-1-2-5(10)8-4/h4H,1-3H2,(H,8,10) |
| Molecular Weight | 140.14 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-2-ones |
| Alternative Parents | Secondary carboxylic acid amides Lactams Azo imides Azo compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 2-pyrrolidone - Azo compound - Azo imide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 140.140 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 140.07 Da |
| Monoisotopic Mass | 140.07 Da |
| Topological Polar Surface Area | 43.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
