ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate

C21H20N2O4 — CID 2951526

IUPACethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-3-27-18(24)12-23-17-11-7-5-9-15(17)21(26,20(23)25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22,26H,3,12H2,1-2H3
InChIKeyZQPDAYBHJFLNNM-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate

ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate (PubChem CID 2951526) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate
PubChem CID2951526
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-3-27-18(24)12-23-17-11-7-5-9-15(17)21(26,20(23)25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22,26H,3,12H2,1-2H3
InChIKeyZQPDAYBHJFLNNM-UHFFFAOYSA-N
XLogP2.62
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate (CID 2951526) is ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate?
The InChIKey is ZQPDAYBHJFLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-27-18(24)12-23-17-11-7-5-9-15(17)21(26,20(23)25)19-13(2)22-16-10-6-4-8-14(16)19/h4-11,22,26H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate?
ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate has a molecular weight of 364.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-3-(2-methyl-1H-indol-3-yl)-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 2951526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).