2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one

C18H12N2O3 — CID 135512880

IUPAC2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one
SMILESCC(=O)n1c(O)c(C2=Nc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H12N2O3/c1-10(21)20-14-9-5-3-7-12(14)15(18(20)23)16-17(22)11-6-2-4-8-13(11)19-16/h2-9,23H,1H3
InChIKeyIFYDXNWZEWFJOZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.32
Rot. Bonds1

About 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one

2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one (PubChem CID 135512880) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one
PubChem CID135512880
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one
SMILESCC(=O)n1c(O)c(C2=Nc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C18H12N2O3/c1-10(21)20-14-9-5-3-7-12(14)15(18(20)23)16-17(22)11-6-2-4-8-13(11)19-16/h2-9,23H,1H3
InChIKeyIFYDXNWZEWFJOZ-UHFFFAOYSA-N
XLogP3.32
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Indigo
CID 10215
2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
5-Bromoindirubin
CID 403165
1-[5-Hydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethanone
CID 537520
Indirubin deriv. 12a
CID 135421123
6-Bromoindirubin
CID 135421124
Indirubin deriv. 5d
CID 135421126
Indirubin deriv. 5c
CID 135421127
6-Vinylindirubin
CID 135421128
6-Fluoroindirubin
CID 135421129
(3E)-3-(2-oxo-1H-indol-3-ylidene)-1-prop-2-enylindol-2-one
CID 974921

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one?
The IUPAC name of 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one (CID 135512880) is 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one.
What is the SMILES notation for 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one?
The canonical SMILES for 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one is CC(=O)n1c(O)c(C2=Nc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one?
The InChIKey is IFYDXNWZEWFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-10(21)20-14-9-5-3-7-12(14)15(18(20)23)16-17(22)11-6-2-4-8-13(11)19-16/h2-9,23H,1H3.
What are the key properties of 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one?
2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one has a molecular weight of 304.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one is sourced from PubChem (CID 135512880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).