4-Methyl-2(5H)-furanone
CNP0565176.0 · C5H6O2 · View on COCONUT ↗
Identifiers
| Name | 4-Methyl-2(5H)-furanone |
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| IUPAC Name | 3-methyl-2~{H}-furan-5-one |
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| COCONUT ID | CNP0565176.0 |
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| CAS | 6124-79-4 |
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| InChIKey | ZZEYQBNQZKUWKY-UHFFFAOYSA-N |
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| InChI | InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3 |
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| SMILES | CC1=CC(=O)OC1 |
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Properties
| Molecular Formula | C5H6O2 |
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| Molecular Weight | 98.10 |
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| Exact Mass | 98.03678 |
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| Log P (ALogP) | 0.49 |
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| TPSA | 26.30 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.41 |
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| NP-likeness | 3.00 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Dihydrofurans |
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| Chemical Subclass | Furanones |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
