3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one

C13H11NO2S — CID 83034918

IUPAC3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccsc1
InChIInChI=1S/C13H11NO2S/c15-12-13(16,7-9-5-6-17-8-9)10-3-1-2-4-11(10)14-12/h1-6,8,16H,7H2,(H,14,15)
InChIKeySHPSSIQUKVDNJI-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.13
Rot. Bonds2

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

3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one (PubChem CID 83034918) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
PubChem CID83034918
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccsc1
InChIInChI=1S/C13H11NO2S/c15-12-13(16,7-9-5-6-17-8-9)10-3-1-2-4-11(10)14-12/h1-6,8,16H,7H2,(H,14,15)
InChIKeySHPSSIQUKVDNJI-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one (CID 83034918) is 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)Cc1ccsc1.
What is the InChIKey of 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one?
The InChIKey is SHPSSIQUKVDNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-12-13(16,7-9-5-6-17-8-9)10-3-1-2-4-11(10)14-12/h1-6,8,16H,7H2,(H,14,15).
What are the key properties of 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one?
3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one has a molecular weight of 245.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 83034918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).