7-bromo-1-(2-methoxyethyl)indole-2,3-dione

C11H10BrNO3 — CID 60726633

IUPAC7-bromo-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C11H10BrNO3/c1-16-6-5-13-9-7(10(14)11(13)15)3-2-4-8(9)12/h2-4H,5-6H2,1H3
InChIKeyIMADDTPCVHJGPO-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.62
Rot. Bonds3

About 7-bromo-1-(2-methoxyethyl)indole-2,3-dione

7-bromo-1-(2-methoxyethyl)indole-2,3-dione (PubChem CID 60726633) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 7-bromo-1-(2-methoxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-(2-methoxyethyl)indole-2,3-dione
PubChem CID60726633
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name7-bromo-1-(2-methoxyethyl)indole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C11H10BrNO3/c1-16-6-5-13-9-7(10(14)11(13)15)3-2-4-8(9)12/h2-4H,5-6H2,1H3
InChIKeyIMADDTPCVHJGPO-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-methoxyethyl)indole-2,3-dione?
The IUPAC name of 7-bromo-1-(2-methoxyethyl)indole-2,3-dione (CID 60726633) is 7-bromo-1-(2-methoxyethyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-(2-methoxyethyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-1-(2-methoxyethyl)indole-2,3-dione is COCCN1C(=O)C(=O)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-(2-methoxyethyl)indole-2,3-dione?
The InChIKey is IMADDTPCVHJGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-16-6-5-13-9-7(10(14)11(13)15)3-2-4-8(9)12/h2-4H,5-6H2,1H3.
What are the key properties of 7-bromo-1-(2-methoxyethyl)indole-2,3-dione?
7-bromo-1-(2-methoxyethyl)indole-2,3-dione has a molecular weight of 284.11 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-methoxyethyl)indole-2,3-dione is sourced from PubChem (CID 60726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).