[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate

C20H16N2O6 — CID 102252687

IUPAC[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate
SMILESCC(=O)OC1(C2(OC(C)=O)Nc3ccccc3C2=O)Nc2ccccc2C1=O
InChIInChI=1S/C20H16N2O6/c1-11(23)27-19(17(25)13-7-3-5-9-15(13)21-19)20(28-12(2)24)18(26)14-8-4-6-10-16(14)22-20/h3-10,21-22H,1-2H3
InChIKeyUUEYNTIXDKUFNX-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.12
Rot. Bonds3

About [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate

[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate (PubChem CID 102252687) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate.

Molecular Properties

Compound Name[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate
PubChem CID102252687
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate
SMILESCC(=O)OC1(C2(OC(C)=O)Nc3ccccc3C2=O)Nc2ccccc2C1=O
InChIInChI=1S/C20H16N2O6/c1-11(23)27-19(17(25)13-7-3-5-9-15(13)21-19)20(28-12(2)24)18(26)14-8-4-6-10-16(14)22-20/h3-10,21-22H,1-2H3
InChIKeyUUEYNTIXDKUFNX-UHFFFAOYSA-N
XLogP2.12
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate?
The IUPAC name of [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate (CID 102252687) is [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate.
What is the SMILES notation for [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate?
The canonical SMILES for [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate is CC(=O)OC1(C2(OC(C)=O)Nc3ccccc3C2=O)Nc2ccccc2C1=O.
What is the InChIKey of [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate?
The InChIKey is UUEYNTIXDKUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c1-11(23)27-19(17(25)13-7-3-5-9-15(13)21-19)20(28-12(2)24)18(26)14-8-4-6-10-16(14)22-20/h3-10,21-22H,1-2H3.
What are the key properties of [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate?
[2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate has a molecular weight of 380.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxy-3-oxo-1H-indol-2-yl)-3-oxo-1H-indol-2-yl] acetate is sourced from PubChem (CID 102252687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).