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Rac-2-Hydroxy Nicotine

CAT: 0024-sc-491226Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491226Size:1 mg
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CAS Number
2055-24-5

Chemical Information

3-(1-Methylpyrrolidin-2-yl)pyridin-2(1h)-one
CAS Number2055-24-5
PubChem CID249884
IUPAC Name3-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-one
Molecular FormulaC10H14N2O
Molecular Weight178.23
XLogP0.6
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity281
SMILES
CN1CCCC1C2=CC=CNC2=O
InChI
InChI=1S/C10H14N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)
InChIKey
HEPGBMFRBFJBBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Methylpyrrolidin-2-yl)pyridin-2(1h)-one
CAS: 2055-24-5
CID: 249884
Formula: C10H14N2O
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass178.110613074
Monoisotopic Mass178.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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