Basic information
- CAS
89932-52-5- Standard SMILES
CN1C(=O)CCC1c1ccc[n+](C)c1- InChIKey
VHRXFWHPQMABEK-UHFFFAOYSA-N- Molecular formula
- C11H15N2O+
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.11843811
Overview
Cotinine methonium ion is a member of pyridines and a member of pyrrolidines.
Names & identifiers
- Preferred name
- 1-Methyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)pyridinium
- IUPAC
- 1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one
- English name
- 1-methyl-5-(1-methylpyridin-5-yl)-pyrrolidin-2-one
- Molecular formula
- C11H15N2O+
- Molecular weight
- 191.25
Names & synonyms
89932-52-5DTXSID708690401-Methyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)pyridiniumRefChem:1055773DTXCID00817074cotinine methonium ion1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-oneN-methylcotininium ionCHEBI:178145NS001150121-Methyl-3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-iumPyridinium, 1-methyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-
Show more names
N-methylcotinium ion1-methyl-5-(1-methylpyridin-5-yl)-pyrrolidin-2-one
Database identifiers
- CAS
89932-52-5- PubChem CID
- 583
- DTXSID
DTXSID70869040- ChEBI
CHEBI:178145
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 24.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 229
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Metabolism/MetabolitesCotinine Methonium Ion is a known thirdhand smoke metabolite of Nicotine.
Tissue LocationsLiver
Additional notes
DefinitionChEBI: Cotinine methonium ion is a member of pyrrolidines and a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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