5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C13H17BrN2O3 — CID 102737952

IUPAC5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC1CCN(C(=O)Cn2cc(Br)ccc2=O)C1CO
InChIInChI=1S/C13H17BrN2O3/c1-9-4-5-16(11(9)8-17)13(19)7-15-6-10(14)2-3-12(15)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyRIONNNKETFANAP-UHFFFAOYSA-N
MW329.19 g/mol
LogP0.84
Rot. Bonds3

About 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 102737952) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID102737952
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCC1CCN(C(=O)Cn2cc(Br)ccc2=O)C1CO
InChIInChI=1S/C13H17BrN2O3/c1-9-4-5-16(11(9)8-17)13(19)7-15-6-10(14)2-3-12(15)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyRIONNNKETFANAP-UHFFFAOYSA-N
XLogP0.84
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 102737952) is 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is CC1CCN(C(=O)Cn2cc(Br)ccc2=O)C1CO.
What is the InChIKey of 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is RIONNNKETFANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-4-5-16(11(9)8-17)13(19)7-15-6-10(14)2-3-12(15)18/h2-3,6,9,11,17H,4-5,7-8H2,1H3.
What are the key properties of 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 329.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 102737952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).