| Canonical Smiles | CNC(=O)C1=CC=C(O1)CN |
|---|---|
| IUPAC Name | 5-(aminomethyl)-N-methylfuran-2-carboxamide |
| InChIKey | FGDPZSJGKXOHEM-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2O2/c1-9-7(10)6-3-2-5(4-8)11-6/h2-3H,4,8H2,1H3,(H,9,10) |
| Isomeric SMILES | CNC(=O)C1=CC=C(O1)CN |
| PubChem CID | 44141692 |
| Molecular Weight | 190.63 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Sugar acids and derivatives - Sugar amino acids and derivatives |
| Direct Parent | Furanoid amino acids and derivatives |
| Alternative Parents | Furoic acid and derivatives 2-heteroaryl carboxamides Aralkylamines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furanoid amino acid - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aralkylamine - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring. |
| External Descriptors | Not available |
| Molecular Weight | 154.170 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.074 Da |
| Monoisotopic Mass | 154.074 Da |
| Topological Polar Surface Area | 68.300 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 |
