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

C15H13NO3S — CID 823783

IUPAC(3R)-3-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/t15-/m1/s1
InChIKeyJZCWXXOJFGSGFT-OAHLLOKOSA-N
MW287.34 g/mol
LogP2.19
Rot. Bonds3

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

(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (PubChem CID 823783) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
PubChem CID823783
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(3R)-3-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/t15-/m1/s1
InChIKeyJZCWXXOJFGSGFT-OAHLLOKOSA-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

(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 1330612
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(2-phenylethyl)indol-2-one
CID 2928474
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-prop-2-enylindol-2-one
CID 2945096
ethyl 2-[(3S)-3-hydroxy-2-oxo-3-(2-oxo-2-thiophen-2-ylethyl)indol-1-yl]acetate
CID 7114795
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 17077973
3-hydroxy-1-methyl-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 3527492
(3S)-3-hydroxy-1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 6927066

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one (CID 823783) is (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The canonical SMILES for (3R)-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 (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
The InChIKey is JZCWXXOJFGSGFT-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one?
(3R)-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 (3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one is sourced from PubChem (CID 823783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).