4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one

C16H16N2O2 — CID 168663596

IUPAC4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H16N2O2/c19-11-12-8-16(20)18(10-12)14-6-7-15(17-9-14)13-4-2-1-3-5-13/h1-7,9,12,19H,8,10-11H2
InChIKeyUHFJJIOCEVUQQO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.09
Rot. Bonds3

About 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168663596) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
PubChem CID168663596
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C16H16N2O2/c19-11-12-8-16(20)18(10-12)14-6-7-15(17-9-14)13-4-2-1-3-5-13/h1-7,9,12,19H,8,10-11H2
InChIKeyUHFJJIOCEVUQQO-UHFFFAOYSA-N
XLogP2.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168508921
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidine-3-sulfonyl chloride
CID 168712493
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168662663

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one (CID 168663596) is 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is UHFJJIOCEVUQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-11-12-8-16(20)18(10-12)14-6-7-15(17-9-14)13-4-2-1-3-5-13/h1-7,9,12,19H,8,10-11H2.
What are the key properties of 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168663596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).