| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:47:38 UTC |
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| Updated at | 2021-01-04 18:49:10 UTC |
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| CannabisDB ID | CDB005707 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 5-Methyl-N-pyridin-2-yl-2,3-dihydropyrrole |
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| Description | 5-Methyl-N-(pyridin-2-yl)-2,3-dihydropyrrole or 2-(5-methyl-2,3-dihydro-1H-pyrrol-1-yl)pyridine is a methylated derivative of N-pyridin-2-yl-2,3-dihydropyrrole in which the methyl substituent positioning at C-5 of the pyrrole ring. 5-Methyl-N-pyridin-2-yl-2,3-dihydropyrrole is one of several structural isomers of Methyl-N-pyridin-2-yl-2,3-dihydropyrrole wherein the methyl group is substituted at different positions of the pyridine and pyrrole rings. 5-Methyl-N-(pyridin-2-yl)-2,3-dihydropyrrole is formed during the combustion of cannabis and can be found in cannabis smoke. ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C10H12N2 |
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| Average Molecular Weight | 160.22 |
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| Monoisotopic Molecular Weight | 160.1 |
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| IUPAC Name | 2-(5-methyl-2,3-dihydro-1H-pyrrol-1-yl)pyridine |
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| Traditional Name | 2-(2-methyl-4,5-dihydropyrrol-1-yl)pyridine |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CCCN1C1=CC=CC=N1 |
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| InChI Identifier | InChI=1S/C10H12N2/c1-9-5-4-8-12(9)10-6-2-3-7-11-10/h2-3,5-7H,4,8H2,1H3 |
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| InChI Key | PATBFQIQARFEOY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Aminopyridines and derivatives |
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| Direct Parent | Aminopyridines and derivatives |
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| Alternative Parents | |
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| Substituents | - Aminopyridine
- Imidolactam
- Heteroaromatic compound
- Pyrroline
- Azacycle
- Enamine
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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