5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

C18H15BrN2O2 — CID 2946150

IUPAC5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3
InChIKeyDIGOTGCFXABMLN-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (PubChem CID 2946150) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
PubChem CID2946150
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3
InChIKeyDIGOTGCFXABMLN-UHFFFAOYSA-N
XLogP3.53
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The IUPAC name of 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (CID 2946150) is 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.
What is the SMILES notation for 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The canonical SMILES for 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is CCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The InChIKey is DIGOTGCFXABMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one has a molecular weight of 371.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 2946150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).