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

C11H11NO3 — CID 11287197

IUPACmethyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-5,8H,6H2,1H3,(H,12,14)
InChIKeyOEGSDTIXVSKASM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.29
Rot. Bonds2

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

methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate (PubChem CID 11287197) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
PubChem CID11287197
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-5,8H,6H2,1H3,(H,12,14)
InChIKeyOEGSDTIXVSKASM-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate (CID 11287197) is methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate is COC(=O)CC1C(=O)Nc2ccccc21.
What is the InChIKey of methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
The InChIKey is OEGSDTIXVSKASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-5,8H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate?
methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 11287197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).