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1-Phenethyl-2-pyridone

CAT: 0572-TRC-P321315-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P321315-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18065-78-6
Synonyms
2(1H)-Pyridone, 1-phenethyl- (6CI,7CI,8CI); 1-(2-Phenylethyl)-2(1H)-pyridinone; 1-(2-Phenylethyl)-2(1H)-pyridone; 1-(2-Phenylethyl)-2-pyridone; 1-Phenethyl-2-pyridinone; NSC 167484
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C1C=CC=CN1CCc2ccccc2
Molecular Formula
C13 H13 N O
Molecular Weight
199.2484
InChI
InChI=1S/C13H13NO/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
Additionnal Information
IUPAC name: 1-(2-phenylethyl)pyridin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nsc167484
CAS Number18065-78-6
PubChem CID296919
IUPAC Name1-(2-phenylethyl)pyridin-2-one
Molecular FormulaC13H13NO
Molecular Weight199.25
XLogP2.3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
C1=CC=C(C=C1)CCN2C=CC=CC2=O
InChI
InChI=1S/C13H13NO/c15-13-8-4-5-10-14(13)11-9-12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKey
BVHQLHNISFFNNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nsc167484
CAS: 18065-78-6
CID: 296919
Formula: C13H13NO
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass199.099714038
Monoisotopic Mass199.099714038
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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