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Basic Description
| Synonyms | 1-(2-furyl)-1-ethanone oxime | 5007-50-1 | 1-(2-furyl)ethanone oxime | 1-Furan-2-yl-ethanone oxime | 1-FURAN-2-YL-ETHANONEOXIME | (NE)-N-[1-(furan-2-yl)ethylidene]hydroxylamine | 1450-48-2 | (E)-1-(Furan-2-yl)ethan-1-one oxime | 1450-49-3 | N-[1-(furan-2-yl)ethylidene]hydr |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Heteroaromatic compounds
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Ketoximes Furans Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Ketoxime - Furan - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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 |
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Associated Targets(Human)
POLI
Tchem
DNA polymerase iota (116820 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (NE)-N-[1-(furan-2-yl)ethylidene]hydroxylamine |
|---|---|
| INCHI | InChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+ |
| InChIKey | RCUXWEHXMOUJCX-FNORWQNLSA-N |
| Smiles | CC(=NO)C1=CC=CO1 |
| Isomeric SMILES | C/C(=N\O)/C1=CC=CO1 |
| Molecular Weight | 125.128 |
| Reaxy-Rn | 8137476 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8137476&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 125.130 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.048 Da |
| Monoisotopic Mass | 125.048 Da |
| Topological Polar Surface Area | 45.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
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