(-)-cotinine
An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 486-56-6 | ChEBI ↗ |
| Molecular formula | C10H12N2O | ChEBI ↗ |
| Molar mass | 176.219 g/mol | ChEBI ↗ |
| Monoisotopic mass | 176.09496 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:68641 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 176.21 g/mol | PubChem ↗ |
| Exact mass | 176.094963011 Da | PubChem ↗ |
| Computed XLogP | -0.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 33.2 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 1 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifier(-)-cotinine(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-oneUIKROCXWUNQSPJ-VIFPVBQESA-N[H][C@@]1(c2cccnc2)CCC(=O)N1CInChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 176.219 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCNOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.