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

C14H11NO3S — CID 2842534

IUPAC3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1cccs1
InChIInChI=1S/C14H11NO3S/c16-11(12-6-3-7-19-12)8-14(18)9-4-1-2-5-10(9)15-13(14)17/h1-7,18H,8H2,(H,15,17)
InChIKeySQCGQJUJXDNYJM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.16
Rot. Bonds3

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

3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (PubChem CID 2842534) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
PubChem CID2842534
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1cccs1
InChIInChI=1S/C14H11NO3S/c16-11(12-6-3-7-19-12)8-14(18)9-4-1-2-5-10(9)15-13(14)17/h1-7,18H,8H2,(H,15,17)
InChIKeySQCGQJUJXDNYJM-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (CID 2842534) is 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccccc21)c1cccs1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The InChIKey is SQCGQJUJXDNYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-11(12-6-3-7-19-12)8-14(18)9-4-1-2-5-10(9)15-13(14)17/h1-7,18H,8H2,(H,15,17).
What are the key properties of 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one has a molecular weight of 273.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 2842534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).