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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Related Compounds

6-fluoro-8-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 89678804
3-(4-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232301
3-(3-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232396
3-hydroxy-5-methyl-3-[2-oxo-2-(thiophen-2-yl)ethyl]-2,3-dihydro-1H-indol-2-one
CID 3820459
(S)-3-Hydroxy-5-methyl-3-(2-oxo-2-(thiophen-2-yl)ethyl)indolin-2-one
CID 713188
7-fluoro-6-[hydroxy(thiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080518
7-fluoro-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080893
7-fluoro-6-[hydroxy-(3-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61080894
7-fluoro-6-[hydroxy(thiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61081079
7-fluoro-6-[hydroxy-(4-methylthiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79808126
6-[(3-ethylthiophen-2-yl)-hydroxymethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 79975363
5-Fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one
CID 80746228

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).