N-Acetylnornicotine
CNP0325765.1 · C11H14N2O · View on COCONUT ↗
Identifiers
| Name | N-Acetylnornicotine |
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| IUPAC Name | 1-[(2~{S})-2-(3-pyridyl)pyrrolidin-1-yl]ethanone |
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| COCONUT ID | CNP0325765.1 |
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| CAS | 5979-94-2 |
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| InChIKey | SSABMTSCLQGWBB-NSHDSACASA-N |
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| InChI | InChI=1S/C11H14N2O/c1-9(14)13-7-3-5-11(13)10-4-2-6-12-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1 |
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| SMILES | CC(=O)N1CCC[C@H]1C1=CC=CN=C1 |
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Properties
| Molecular Formula | C11H14N2O |
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| Molecular Weight | 190.25 |
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| Exact Mass | 190.11061 |
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| Log P (ALogP) | 1.77 |
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| TPSA | 33.20 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.68 |
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| NP-likeness | -0.76 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | Pyridine alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Pyridines and derivatives |
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| Chemical Subclass | Pyrrolidinylpyridines |
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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.
