| Canonical Smiles | CC1=CC=C(O1)C(=N)N |
|---|---|
| IUPAC Name | 5-methylfuran-2-carboximidamide |
| InChIKey | UZRQNAJRDUVHBX-UHFFFAOYSA-N |
| INCHI | 1S/C6H8N2O/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H3,7,8) |
| Isomeric SMILES | CC1=CC=C(O1)C(=N)N |
| PubChem CID | 24823261 |
| Molecular Weight | 160.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Furans Oxacyclic compounds Carboximidamides Carboxamidines Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Furan - Oxacycle - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| External Descriptors | Not available |
| Molecular Weight | 124.140 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.064 Da |
| Monoisotopic Mass | 124.064 Da |
| Topological Polar Surface Area | 63.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| 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 |
