2-Propionyl-1,4,5,6-tetrahydropyridine
CNP0358060.0 · C8H13NO · View on COCONUT ↗
Identifiers
| Name | 2-Propionyl-1,4,5,6-tetrahydropyridine |
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| IUPAC Name | 1-(1,2,3,4-tetrahydropyridin-6-yl)propan-1-one |
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| COCONUT ID | CNP0358060.0 |
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| InChIKey | DOGZYNACXGUDFW-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H13NO/c1-2-8(10)7-5-3-4-6-9-7/h5,9H,2-4,6H2,1H3 |
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| SMILES | CCC(=O)C1=CCCCN1 |
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Properties
| Molecular Formula | C8H13NO |
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| Molecular Weight | 139.20 |
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| Exact Mass | 139.09971 |
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| Log P (ALogP) | 1.23 |
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| TPSA | 29.10 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.62 |
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| NP-likeness | 0.20 |
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Classification
| NP Pathway | |
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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 | Pyridines and derivatives |
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| Chemical Subclass | Hydropyridines |
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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.
