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

C16H16N2O — CID 91784595

IUPAC1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccn2)CN1c1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-11-13(10-14-6-4-5-9-17-14)12-18(16)15-7-2-1-3-8-15/h1-9,13H,10-12H2
InChIKeyHLVIEIHCWDDQES-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds3

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

1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 91784595) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID91784595
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccn2)CN1c1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-11-13(10-14-6-4-5-9-17-14)12-18(16)15-7-2-1-3-8-15/h1-9,13H,10-12H2
InChIKeyHLVIEIHCWDDQES-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 91829119
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91775988
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
(3S)-5-oxo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1-phenylpyrrolidine-3-carboxamide
CID 39047766

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 91784595) is 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1CC(Cc2ccccn2)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HLVIEIHCWDDQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-11-13(10-14-6-4-5-9-17-14)12-18(16)15-7-2-1-3-8-15/h1-9,13H,10-12H2.
What are the key properties of 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91784595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).