5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one

C14H13NO2S — CID 82172104

IUPAC5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(C(O)c3cccs3)cc21
InChIInChI=1S/C14H13NO2S/c1-8-10-7-9(4-5-11(10)15-14(8)17)13(16)12-3-2-6-18-12/h2-8,13,16H,1H3,(H,15,17)
InChIKeyKDZIUVFQRMSYDK-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.89
Rot. Bonds2

About 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one

5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82172104) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID82172104
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(C(O)c3cccs3)cc21
InChIInChI=1S/C14H13NO2S/c1-8-10-7-9(4-5-11(10)15-14(8)17)13(16)12-3-2-6-18-12/h2-8,13,16H,1H3,(H,15,17)
InChIKeyKDZIUVFQRMSYDK-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one (CID 82172104) is 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(C(O)c3cccs3)cc21.
What is the InChIKey of 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is KDZIUVFQRMSYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-10-7-9(4-5-11(10)15-14(8)17)13(16)12-3-2-6-18-12/h2-8,13,16H,1H3,(H,15,17).
What are the key properties of 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one?
5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 259.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(thiophen-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).