5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one

C13H13BrN2O3 — CID 19001592

IUPAC5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one
SMILESCN1CCC(C2(O)C(=O)Nc3ccc(Br)cc32)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-16-5-4-8(11(16)17)13(19)9-6-7(14)2-3-10(9)15-12(13)18/h2-3,6,8,19H,4-5H2,1H3,(H,15,18)
InChIKeyANKCUOKMNIHJHL-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.07
Rot. Bonds1

About 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one

5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one (PubChem CID 19001592) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one
PubChem CID19001592
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one
SMILESCN1CCC(C2(O)C(=O)Nc3ccc(Br)cc32)C1=O
InChIInChI=1S/C13H13BrN2O3/c1-16-5-4-8(11(16)17)13(19)9-6-7(14)2-3-10(9)15-12(13)18/h2-3,6,8,19H,4-5H2,1H3,(H,15,18)
InChIKeyANKCUOKMNIHJHL-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one (CID 19001592) is 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one is CN1CCC(C2(O)C(=O)Nc3ccc(Br)cc32)C1=O.
What is the InChIKey of 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one?
The InChIKey is ANKCUOKMNIHJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-16-5-4-8(11(16)17)13(19)9-6-7(14)2-3-10(9)15-12(13)18/h2-3,6,8,19H,4-5H2,1H3,(H,15,18).
What are the key properties of 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one?
5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one has a molecular weight of 325.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indol-2-one is sourced from PubChem (CID 19001592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).