| Canonical Smiles | CNC(=O)C1=CC=C(O1)CO |
|---|---|
| IUPAC Name | 5-(hydroxymethyl)-N-methylfuran-2-carboxamide |
| InChIKey | CEBSWNKGLWHJRL-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NO3/c1-8-7(10)6-3-2-5(4-9)11-6/h2-3,9H,4H2,1H3,(H,8,10) |
| Isomeric SMILES | CNC(=O)C1=CC=C(O1)CO |
| PubChem CID | 45791217 |
| Molecular Weight | 155.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Furoic acid and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Furoic acid or derivatives - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 155.150 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 155.058 Da |
| Monoisotopic Mass | 155.058 Da |
| Topological Polar Surface Area | 62.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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 |
