5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C16H16N2O — CID 173311481

IUPAC5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C16H16N2O/c19-16-7-6-15(14-4-2-1-3-5-14)18(16)12-13-8-10-17-11-9-13/h1-5,8-11,15H,6-7,12H2
InChIKeyUDKNJCYJUBRRCA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds3

About 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 173311481) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID173311481
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C16H16N2O/c19-16-7-6-15(14-4-2-1-3-5-14)18(16)12-13-8-10-17-11-9-13/h1-5,8-11,15H,6-7,12H2
InChIKeyUDKNJCYJUBRRCA-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one
CID 171824420
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
1-(aminomethyl)-5-phenylpyrrolidin-2-one
CID 23348574
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
CID 25201488
N-benzyl-N-[2-[(2R)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]ethyl]sulfamoyl fluoride
CID 155926229
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 91888366
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
5-(5-fluoro-3-pyridinyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-2-one
CID 156824842
(3aR,7aR)-1-(furan-2-ylmethyl)-4-(pyridin-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379334
(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
CID 101487876

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 173311481) is 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is O=C1CCC(c2ccccc2)N1Cc1ccncc1.
What is the InChIKey of 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is UDKNJCYJUBRRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-7-6-15(14-4-2-1-3-5-14)18(16)12-13-8-10-17-11-9-13/h1-5,8-11,15H,6-7,12H2.
What are the key properties of 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 173311481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).