2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one

C18H12N2O2 — CID 135421128

IUPAC2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESC=Cc1ccc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2c1
InChIInChI=1S/C18H12N2O2/c1-2-10-7-8-11-14(9-10)20-18(22)15(11)16-17(21)12-5-3-4-6-13(12)19-16/h2-9,20,22H,1H2
InChIKeyCOLRVGXKZJZTAW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.83
Rot. Bonds2

About 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one

2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135421128) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135421128
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESC=Cc1ccc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2c1
InChIInChI=1S/C18H12N2O2/c1-2-10-7-8-11-14(9-10)20-18(22)15(11)16-17(21)12-5-3-4-6-13(12)19-16/h2-9,20,22H,1H2
InChIKeyCOLRVGXKZJZTAW-UHFFFAOYSA-N
XLogP3.83
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135421128) is 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one is C=Cc1ccc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2c1.
What is the InChIKey of 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is COLRVGXKZJZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-2-10-7-8-11-14(9-10)20-18(22)15(11)16-17(21)12-5-3-4-6-13(12)19-16/h2-9,20,22H,1H2.
What are the key properties of 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one?
2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 288.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyl-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135421128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).