methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate

C17H15NO3 — CID 91284213

IUPACmethyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c1-21-15(19)10-11-5-4-6-12(9-11)16-13-7-2-3-8-14(13)18-17(16)20/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyXTLHRBKOGVJDNV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.49
Rot. Bonds3

About methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate

methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate (PubChem CID 91284213) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate
PubChem CID91284213
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H15NO3/c1-21-15(19)10-11-5-4-6-12(9-11)16-13-7-2-3-8-14(13)18-17(16)20/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyXTLHRBKOGVJDNV-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54492960
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3-(4-aminophenyl)-1,3-dihydroindol-2-one
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2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
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3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43181980
methyl 2-(3-propylphenyl)acetate
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methyl 2-(3-ethylphenyl)acetate;zinc;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate (CID 91284213) is methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate is COC(=O)Cc1cccc(C2C(=O)Nc3ccccc32)c1.
What is the InChIKey of methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate?
The InChIKey is XTLHRBKOGVJDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-15(19)10-11-5-4-6-12(9-11)16-13-7-2-3-8-14(13)18-17(16)20/h2-9,16H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate?
methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate has a molecular weight of 281.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-oxo-1,3-dihydroindol-3-yl)phenyl]acetate is sourced from PubChem (CID 91284213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).