EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C10H14N2 |
| Net Charge | 0 |
| Average Mass | 162.236 |
| Monoisotopic Mass | 162.11570 |
| SMILES | [H][C@]1(c2cccnc2)CCCN1C |
| InChI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1 |
| InChIKey | SNICXCGAKADSCV-SNVBAGLBSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-nicotine (CHEBI:39162) is a 3-(1-methylpyrrolidin-2-yl)pyridine (CHEBI:138000) |
| (R)-nicotine (CHEBI:39162) is conjugate base of (R)-nicotinium(1+) (CHEBI:79008) |
| (R)-nicotine (CHEBI:39162) is enantiomer of (S)-nicotine (CHEBI:17688) |
| Incoming Relation(s) |
| (R)-6-hydroxynicotine (CHEBI:18226) has functional parent (R)-nicotine (CHEBI:39162) |
| nicotine (CHEBI:18723) has part (R)-nicotine (CHEBI:39162) |
| (R)-nicotinium(1+) (CHEBI:79008) is conjugate acid of (R)-nicotine (CHEBI:39162) |
| (S)-nicotine (CHEBI:17688) is enantiomer of (R)-nicotine (CHEBI:39162) |
| IUPAC Name |
|---|
| 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine |
| Synonyms | Source |
|---|---|
| (+)-nicotine | ChemIDplus |
| (R)-3-(1-methyl-2-pyrrolidinyl)pyridine | ChemIDplus |
| pseudonicotine | ChemIDplus |
| d-nicotine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C16386 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:82110 | Beilstein |
| Beilstein:4666243 | Beilstein |
| CAS:25162-00-9 | ChemIDplus |