1-(3-bromo-2-hydroxypropyl)indole-2,3-dione

C11H10BrNO3 — CID 112560119

IUPAC1-(3-bromo-2-hydroxypropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(O)CBr)c2ccccc21
InChIInChI=1S/C11H10BrNO3/c12-5-7(14)6-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,7,14H,5-6H2
InChIKeyVGCYBULFFLOFRR-UHFFFAOYSA-N
MW284.11 g/mol
LogP0.97
Rot. Bonds3

About 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione

1-(3-bromo-2-hydroxypropyl)indole-2,3-dione (PubChem CID 112560119) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxypropyl)indole-2,3-dione
PubChem CID112560119
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name1-(3-bromo-2-hydroxypropyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(O)CBr)c2ccccc21
InChIInChI=1S/C11H10BrNO3/c12-5-7(14)6-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,7,14H,5-6H2
InChIKeyVGCYBULFFLOFRR-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione?
The IUPAC name of 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione (CID 112560119) is 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione.
What is the SMILES notation for 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione?
The canonical SMILES for 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione is O=C1C(=O)N(CC(O)CBr)c2ccccc21.
What is the InChIKey of 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione?
The InChIKey is VGCYBULFFLOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-5-7(14)6-13-9-4-2-1-3-8(9)10(15)11(13)16/h1-4,7,14H,5-6H2.
What are the key properties of 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione?
1-(3-bromo-2-hydroxypropyl)indole-2,3-dione has a molecular weight of 284.11 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxypropyl)indole-2,3-dione is sourced from PubChem (CID 112560119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).