5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

C15H12BrNO3S — CID 2923678

IUPAC5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2cccs2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO3S/c1-17-11-5-4-9(16)7-10(11)15(20,14(17)19)8-12(18)13-3-2-6-21-13/h2-7,20H,8H2,1H3
InChIKeyDUBHPFLCOUDGHO-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.95
Rot. Bonds3

About 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (PubChem CID 2923678) has the molecular formula C15H12BrNO3S and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
PubChem CID2923678
Molecular FormulaC15H12BrNO3S
Molecular Weight366.24 g/mol
Exact Mass364.97
IUPAC Name5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2cccs2)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO3S/c1-17-11-5-4-9(16)7-10(11)15(20,14(17)19)8-12(18)13-3-2-6-21-13/h2-7,20H,8H2,1H3
InChIKeyDUBHPFLCOUDGHO-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (CID 2923678) is 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is CN1C(=O)C(O)(CC(=O)c2cccs2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The InChIKey is DUBHPFLCOUDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3S/c1-17-11-5-4-9(16)7-10(11)15(20,14(17)19)8-12(18)13-3-2-6-21-13/h2-7,20H,8H2,1H3.
What are the key properties of 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one has a molecular weight of 366.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is sourced from PubChem (CID 2923678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).