1-Acetylimidazole
CNP0241131.0 · C5H6N2O · View on COCONUT ↗
Identifiers
| Name | 1-Acetylimidazole |
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| IUPAC Name | 1-imidazol-1-ylethanone |
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| COCONUT ID | CNP0241131.0 |
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| CAS | 2466-76-4 |
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| InChIKey | VIHYIVKEECZGOU-UHFFFAOYSA-N |
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| InChI | InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3 |
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| SMILES | CC(=O)N1C=CN=C1 |
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Properties
| Molecular Formula | C5H6N2O |
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| Molecular Weight | 110.12 |
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| Exact Mass | 110.04801 |
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| Log P (ALogP) | 0.54 |
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| TPSA | 34.89 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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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 | 0.49 |
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| NP-likeness | -1.01 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Azoles |
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| Chemical Subclass | Imidazoles |
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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.
