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

C16H18BrNO3 — CID 2918111

IUPAC5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
SMILESCCC1CCC(=O)C(C2(O)C(=O)Nc3ccc(Br)cc32)C1
InChIInChI=1S/C16H18BrNO3/c1-2-9-3-6-14(19)12(7-9)16(21)11-8-10(17)4-5-13(11)18-15(16)20/h4-5,8-9,12,21H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyAJSIEHLMUSCGDN-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.98
Rot. Bonds2

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

5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one (PubChem CID 2918111) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
PubChem CID2918111
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
SMILESCCC1CCC(=O)C(C2(O)C(=O)Nc3ccc(Br)cc32)C1
InChIInChI=1S/C16H18BrNO3/c1-2-9-3-6-14(19)12(7-9)16(21)11-8-10(17)4-5-13(11)18-15(16)20/h4-5,8-9,12,21H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyAJSIEHLMUSCGDN-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one (CID 2918111) is 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one is CCC1CCC(=O)C(C2(O)C(=O)Nc3ccc(Br)cc32)C1.
What is the InChIKey of 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is AJSIEHLMUSCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-2-9-3-6-14(19)12(7-9)16(21)11-8-10(17)4-5-13(11)18-15(16)20/h4-5,8-9,12,21H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one?
5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 352.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-ethyl-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2918111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).