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

C12H15BrN2O3 — CID 103727186

IUPAC5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C12H15BrN2O3/c1-12(18)4-5-14(8-12)11(17)7-15-6-9(13)2-3-10(15)16/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyUFKDCFLEUSHPNO-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.59
Rot. Bonds2

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

5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 103727186) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID103727186
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1(O)CCN(C(=O)Cn2cc(Br)ccc2=O)C1
InChIInChI=1S/C12H15BrN2O3/c1-12(18)4-5-14(8-12)11(17)7-15-6-9(13)2-3-10(15)16/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyUFKDCFLEUSHPNO-UHFFFAOYSA-N
XLogP0.59
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 103727186) is 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1(O)CCN(C(=O)Cn2cc(Br)ccc2=O)C1.
What is the InChIKey of 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is UFKDCFLEUSHPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-12(18)4-5-14(8-12)11(17)7-15-6-9(13)2-3-10(15)16/h2-3,6,18H,4-5,7-8H2,1H3.
What are the key properties of 5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 315.17 g/mol, XLogP of 0.59, 2 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-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 103727186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).