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

C12H15BrN2O3 — CID 62370963

IUPAC5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCC(CO)C1
InChIInChI=1S/C12H15BrN2O3/c13-10-1-2-11(17)15(6-10)7-12(18)14-4-3-9(5-14)8-16/h1-2,6,9,16H,3-5,7-8H2
InChIKeyRDOYYALFZVPRRL-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.45
Rot. Bonds3

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

5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62370963) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62370963
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCC(CO)C1
InChIInChI=1S/C12H15BrN2O3/c13-10-1-2-11(17)15(6-10)7-12(18)14-4-3-9(5-14)8-16/h1-2,6,9,16H,3-5,7-8H2
InChIKeyRDOYYALFZVPRRL-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62370963) is 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCC(CO)C1.
What is the InChIKey of 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is RDOYYALFZVPRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-10-1-2-11(17)15(6-10)7-12(18)14-4-3-9(5-14)8-16/h1-2,6,9,16H,3-5,7-8H2.
What are the key properties of 5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 315.17 g/mol, XLogP of 0.45, 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-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62370963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).