2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one

C18H12N2O3 — CID 135423683

IUPAC2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCC(=O)c1cccc2c(O)c(C3=Nc4ccccc4C3=O)[nH]c12
InChIInChI=1S/C18H12N2O3/c1-9(21)10-6-4-7-12-14(10)20-16(18(12)23)15-17(22)11-5-2-3-8-13(11)19-15/h2-8,20,23H,1H3
InChIKeyCJDRURHUMCWIML-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.39
Rot. Bonds2

About 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one

2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one (PubChem CID 135423683) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one.

Molecular Properties

Compound Name2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one
PubChem CID135423683
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCC(=O)c1cccc2c(O)c(C3=Nc4ccccc4C3=O)[nH]c12
InChIInChI=1S/C18H12N2O3/c1-9(21)10-6-4-7-12-14(10)20-16(18(12)23)15-17(22)11-5-2-3-8-13(11)19-15/h2-8,20,23H,1H3
InChIKeyCJDRURHUMCWIML-UHFFFAOYSA-N
XLogP3.39
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The IUPAC name of 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one (CID 135423683) is 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one.
What is the SMILES notation for 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The canonical SMILES for 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one is CC(=O)c1cccc2c(O)c(C3=Nc4ccccc4C3=O)[nH]c12.
What is the InChIKey of 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
The InChIKey is CJDRURHUMCWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-9(21)10-6-4-7-12-14(10)20-16(18(12)23)15-17(22)11-5-2-3-8-13(11)19-15/h2-8,20,23H,1H3.
What are the key properties of 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one?
2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one has a molecular weight of 304.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-3-hydroxy-1H-indol-2-yl)indol-3-one is sourced from PubChem (CID 135423683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).