4-(2-Phenylethyl)pyridin-2(1h)-one

HCID 268029

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16097-16-8
Standard SMILES: O=c1cc(CCc2ccccc2)cc[nH]1
InChIKey: KVEPRQPWUFQAMC-UHFFFAOYSA-N
Molecular formula: C13H13NO
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.09971404

Names & identifiers

Preferred name: 4-(2-Phenylethyl)pyridin-2(1h)-one
IUPAC: 4-(2-phenylethyl)-1H-pyridin-2-one

Names & synonyms

16097-16-84-phenethyl-1H-pyridin-2-one4-(2-phenylethyl)pyridin-2(1h)-oneNSC108057SCHEMBL13665874-Phenethylpyridin-2(1H)-oneDTXSID40296162KVEPRQPWUFQAMC-UHFFFAOYSA-N4-(2-Phenylethyl)-2(1h)-pyridinoneNSC-108057DB-152445

Database identifiers

CAS: 16097-16-8
PubChem CID: 268029
DTXSID: DTXSID40296162

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 285

Related reactions

10 records

New reaction record

HRID 564158As reactantuspto-grants-2011_11

HRID 699961As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 814477As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 930618As reactantuspto-grants-2016_03

HRID 930640As productuspto-grants-2016_03

HRID 930681As reactantuspto-grants-2016_03

HRID 1020533As reactantuspto-grants-2014_05

HRID 1020555As productuspto-grants-2014_05

Compound notes

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