1133-64-8
CNP0119920.2 · C10H13N3O · View on COCONUT ↗
Identifiers
| Name | 1133-64-8 |
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| IUPAC Name | 3-[(2~{S})-1-nitroso-2-piperidyl]pyridine |
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| COCONUT ID | CNP0119920.2 |
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| CAS | 1133-64-8 |
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| InChIKey | BXYPVKMROLGXJI-JTQLQIEISA-N |
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| InChI | InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1 |
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| SMILES | O=NN1CCCC[C@H]1C1=CC=CN=C1 |
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Properties
| Molecular Formula | C10H13N3O |
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| Molecular Weight | 191.23 |
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| Exact Mass | 191.10586 |
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| Log P (ALogP) | 2.29 |
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| TPSA | 45.56 |
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| H-Bond Donors / Acceptors | 0 / 3 |
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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 | 0.67 |
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| NP-likeness | -0.49 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Lysine alkaloids |
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| NP Class | Piperidine alkaloids |
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| Chemical Superclass | Alkaloids and derivatives |
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| Chemical Class | |
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| Chemical Subclass | Alkaloids and derivatives |
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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.
