methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate

C17H15NO3 — CID 122655444

IUPACmethyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
SMILESCOC(=O)c1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H15NO3/c1-10-4-3-5-13(17(20)21-2)16(10)11-6-7-14-12(8-11)9-15(19)18-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXPSWSWJCSJQMIJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.94
Rot. Bonds2

About methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate

methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate (PubChem CID 122655444) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
PubChem CID122655444
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate
SMILESCOC(=O)c1cccc(C)c1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H15NO3/c1-10-4-3-5-13(17(20)21-2)16(10)11-6-7-14-12(8-11)9-15(19)18-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXPSWSWJCSJQMIJ-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate?
The IUPAC name of methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate (CID 122655444) is methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate.
What is the SMILES notation for methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate?
The canonical SMILES for methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate is COC(=O)c1cccc(C)c1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate?
The InChIKey is XPSWSWJCSJQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-4-3-5-13(17(20)21-2)16(10)11-6-7-14-12(8-11)9-15(19)18-14/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate?
methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate has a molecular weight of 281.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)benzoate is sourced from PubChem (CID 122655444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).