2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one

C18H12N2O2 — CID 137083900

IUPAC2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one
SMILESO=C1C(/C=C/c2[nH]c3ccccc3c2O)=Nc2ccccc21
InChIInChI=1S/C18H12N2O2/c21-17-11-5-1-3-7-13(11)19-15(17)9-10-16-18(22)12-6-2-4-8-14(12)20-16/h1-10,19,21H/b10-9+
InChIKeyYLLJHZRVKGCOAO-MDZDMXLPSA-N
MW288.31 g/mol
LogP3.86
Rot. Bonds2

About 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one

2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one (PubChem CID 137083900) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one.

Molecular Properties

Compound Name2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one
PubChem CID137083900
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one
SMILESO=C1C(/C=C/c2[nH]c3ccccc3c2O)=Nc2ccccc21
InChIInChI=1S/C18H12N2O2/c21-17-11-5-1-3-7-13(11)19-15(17)9-10-16-18(22)12-6-2-4-8-14(12)20-16/h1-10,19,21H/b10-9+
InChIKeyYLLJHZRVKGCOAO-MDZDMXLPSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 10215
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
CID 131863122
CID 131863122
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
2-(3-hydroxy-1H-indol-2-yl)indol-3-one;(2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one
CID 159041132
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911864
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
CID 3843472
10H-acridin-9-one
CID 22753806
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one?
The IUPAC name of 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one (CID 137083900) is 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one.
What is the SMILES notation for 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one?
The canonical SMILES for 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one is O=C1C(/C=C/c2[nH]c3ccccc3c2O)=Nc2ccccc21.
What is the InChIKey of 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one?
The InChIKey is YLLJHZRVKGCOAO-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-11-5-1-3-7-13(11)19-15(17)9-10-16-18(22)12-6-2-4-8-14(12)20-16/h1-10,19,21H/b10-9+.
What are the key properties of 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one?
2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one has a molecular weight of 288.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-hydroxy-1H-indol-2-yl)ethenyl]indol-3-one is sourced from PubChem (CID 137083900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).