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

C15H13NO3S — CID 2877111

IUPAC3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H13NO3S/c1-16-11-6-3-2-5-10(11)15(19,14(16)18)9-12(17)13-7-4-8-20-13/h2-8,19H,9H2,1H3
InChIKeyJZCWXXOJFGSGFT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.19
Rot. Bonds3

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

3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (PubChem CID 2877111) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
PubChem CID2877111
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H13NO3S/c1-16-11-6-3-2-5-10(11)15(19,14(16)18)9-12(17)13-7-4-8-20-13/h2-8,19H,9H2,1H3
InChIKeyJZCWXXOJFGSGFT-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 2915811
3-hydroxy-5-iodo-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2923233
5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2924457
1-(4-Chlorobenzyl)-3-hydroxy-3-(2-methyl-1-oxo-1-(thiophen-2-yl)propan-2-yl)indolin-2-one
CID 24816161
3-Hydroxy-1-methyl-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 325380
7-ethyl-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2944189
3-hydroxy-4,6-dimethyl-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2950920
3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 2957471
3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 3596901
3-Hydroxy-1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 5149995
5-bromo-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2879843
5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2924047

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (CID 2877111) is 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is CN1C(=O)C(O)(CC(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The InChIKey is JZCWXXOJFGSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-16-11-6-3-2-5-10(11)15(19,14(16)18)9-12(17)13-7-4-8-20-13/h2-8,19H,9H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one has a molecular weight of 287.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is sourced from PubChem (CID 2877111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).