Showing Compound Card for 2-Ethyl-1-methylpyrrole (CDB006384)
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| Version | 1.0 | |||||||||||||||
| Created at | 2021-01-13 17:43:49 UTC | |||||||||||||||
| Updated at | 2021-01-13 17:43:51 UTC | |||||||||||||||
| CannabisDB ID | CDB006384 | |||||||||||||||
| Secondary Accession Numbers | Not Available | |||||||||||||||
| Cannabis Compound Identification | ||||||||||||||||
| Common Name | 2-Ethyl-1-methylpyrrole | |||||||||||||||
| Description | 2-Ethyl-1-methylpyrrole, also known as ethylmethyl-1H-pyrrole, belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions. 2-Ethyl-1-methylpyrrole is an alkylated derivative of pyrrole. Pyrrole is a colorless volatile liquid that darkens readily upon exposure to air. Substitution of pyrrole with alkyl substituents creates a more basic molecule. 2-Ethyl-1-methylpyrrole is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C7H11N | |||||||||||||||
| Average Molecular Weight | 109.172 | |||||||||||||||
| Monoisotopic Molecular Weight | 109.089149358 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CCC1=CC=CN1C | |||||||||||||||
| InChI Identifier | InChI=1S/C7H11N/c1-3-7-5-4-6-8(7)2/h4-6H,3H2,1-2H3 | |||||||||||||||
| InChI Key | NRFLRWJZUPDSLT-UHFFFAOYSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Organoheterocyclic compounds | |||||||||||||||
| Class | Pyrroles | |||||||||||||||
| Sub Class | Substituted pyrroles | |||||||||||||||
| Direct Parent | N-methylpyrroles | |||||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Pathways | Not Available | |||||||||||||||
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| Enzymes | Not Available | |||||||||||||||
| Transporters | Not Available | |||||||||||||||
| Metal Bindings | Not Available | |||||||||||||||
| Receptors | Not Available | |||||||||||||||
| Transcriptional Factors | Not Available | |||||||||||||||
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| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 461083 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 529076 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
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| General References | Not Available | |||||||||||||||