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

C12H15BrN2O3 — CID 61409261

IUPAC5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC1CO
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-11(17)14(6-9)7-12(18)15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyFZKFYBHXRHNHBW-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.59
Rot. Bonds3

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

5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 61409261) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID61409261
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC1CO
InChIInChI=1S/C12H15BrN2O3/c13-9-3-4-11(17)14(6-9)7-12(18)15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyFZKFYBHXRHNHBW-UHFFFAOYSA-N
XLogP0.59
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.59
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)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 61409261) is 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCCC1CO.
What is the InChIKey of 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is FZKFYBHXRHNHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-3-4-11(17)14(6-9)7-12(18)15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8H2.
What are the key properties of 5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 315.17 g/mol, XLogP of 0.59, 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)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 61409261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).