| Canonical Smiles | CC(C)(C)OC(=O)NC1=CN=C(C=C1)CCO |
|---|---|
| IUPAC Name | tert-butyl N-[6-(2-hydroxyethyl)pyridin-3-yl]carbamate |
| InChIKey | YBAWSNGJZOQDPQ-UHFFFAOYSA-N |
| INCHI | 1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-5-4-9(6-7-15)13-8-10/h4-5,8,15H,6-7H2,1-3H3,(H,14,16) |
| Molecular Weight | 238.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 238.280 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 238.132 Da |
| Monoisotopic Mass | 238.132 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
