5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one

C10H10BrNO2 — CID 3806843

IUPAC5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13)
InChIKeyOPUPISBKAYEIBC-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.00
Rot. Bonds1

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

5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one (PubChem CID 3806843) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one
PubChem CID3806843
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one
SMILESCCC1(O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13)
InChIKeyOPUPISBKAYEIBC-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one (CID 3806843) is 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one is CCC1(O)C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one?
The InChIKey is OPUPISBKAYEIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-2-10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one?
5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 3806843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).