5-bromo-6-(diethylamino)-1H-indole-2,3-dione

C12H13BrN2O2 — CID 79335828

IUPAC5-bromo-6-(diethylamino)-1H-indole-2,3-dione
SMILESCCN(CC)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C12H13BrN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyQTRNOPKSPGHAHY-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.43
Rot. Bonds3

About 5-bromo-6-(diethylamino)-1H-indole-2,3-dione

5-bromo-6-(diethylamino)-1H-indole-2,3-dione (PubChem CID 79335828) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-6-(diethylamino)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(diethylamino)-1H-indole-2,3-dione
PubChem CID79335828
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-6-(diethylamino)-1H-indole-2,3-dione
SMILESCCN(CC)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C12H13BrN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyQTRNOPKSPGHAHY-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 5-bromo-6-(diethylamino)-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-(diethylamino)-1H-indole-2,3-dione (CID 79335828) is 5-bromo-6-(diethylamino)-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-(diethylamino)-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-(diethylamino)-1H-indole-2,3-dione is CCN(CC)c1cc2c(cc1Br)C(=O)C(=O)N2.
What is the InChIKey of 5-bromo-6-(diethylamino)-1H-indole-2,3-dione?
The InChIKey is QTRNOPKSPGHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-15(4-2)10-6-9-7(5-8(10)13)11(16)12(17)14-9/h5-6H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 5-bromo-6-(diethylamino)-1H-indole-2,3-dione?
5-bromo-6-(diethylamino)-1H-indole-2,3-dione has a molecular weight of 297.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(diethylamino)-1H-indole-2,3-dione is sourced from PubChem (CID 79335828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).