NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-methyl-5-(pyridin-2-yl)pyrrolidin-2-one
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IUPAC Traditional name
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1-methyl-5-(pyridin-2-yl)pyrrolidin-2-one
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Synonyms
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o-Cotinine
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1-Methyl-2-oxo-5-(pyridin-2-yl)pyrrolidine
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1-Methyl-5-(pyridin-2-yl)pyrrolidin-2-one
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1-Methyl-5-(2-pyridyl)-2-pyrrolidinone
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(R,S)-ortho-Cotinine
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(+/-)-N-Methyl-5-(2-pyridyl)pyrrolidin-2-one
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(+/-)-ortho-Cotinine
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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0.43002373
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LogD (pH = 7.4)
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0.4441128
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Log P
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0.44429564
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Molar Refractivity
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48.8334 cm3
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Polarizability
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19.112247 Å3
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Polar Surface Area
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33.2 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Apollo Scientific
TRC
Apollo Scientific Ltd -
OR2505
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A metabolite of nicotine in humans. Used for internal standardization for routine biomonitoring of nicotine metabolites. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Sugasawa, S., et al.: Pharma. Bull., et al.: 2, 39 (1954)
- • Thompson, J.A., et al.: J. Chromatog., 231, 53 (1954)
- • Seeman, J.I., et al.: J. Org. Chem., 51, 1548 (1986)
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PATENTS
PATENTS
PubChem Patent
Google Patent