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

C14H13NO2S — CID 82172433

IUPAC7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3cccs3)c1)NC(=O)C2
InChIInChI=1S/C14H13NO2S/c1-8-5-9-7-12(16)15-13(9)10(6-8)14(17)11-3-2-4-18-11/h2-6,14,17H,7H2,1H3,(H,15,16)
InChIKeyVXSXSWVFZUYMTO-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.63
Rot. Bonds2

About 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one

7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 82172433) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID82172433
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3cccs3)c1)NC(=O)C2
InChIInChI=1S/C14H13NO2S/c1-8-5-9-7-12(16)15-13(9)10(6-8)14(17)11-3-2-4-18-11/h2-6,14,17H,7H2,1H3,(H,15,16)
InChIKeyVXSXSWVFZUYMTO-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 82173214
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
5-ethyl-7-[hydroxy(thiophen-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 82172714
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
2-oxo-N-(1-thiophen-2-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711764
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914
6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174336
2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
CID 117364760
(2-fluoro-3-methylphenyl)-thiophen-2-ylmethanol
CID 81477693

Frequently Asked Questions

What is the IUPAC name of 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one (CID 82172433) is 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one is Cc1cc2c(c(C(O)c3cccs3)c1)NC(=O)C2.
What is the InChIKey of 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is VXSXSWVFZUYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-5-9-7-12(16)15-13(9)10(6-8)14(17)11-3-2-4-18-11/h2-6,14,17H,7H2,1H3,(H,15,16).
What are the key properties of 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one?
7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 259.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).