1-benzyl-6-bromoindole-2,3-dione

C15H10BrNO2 — CID 16752331

IUPAC1-benzyl-6-bromoindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)17(15(19)14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYGLYTXQMVGIKBW-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.18
Rot. Bonds2

About 1-benzyl-6-bromoindole-2,3-dione

1-benzyl-6-bromoindole-2,3-dione (PubChem CID 16752331) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-benzyl-6-bromoindole-2,3-dione.

Molecular Properties

Compound Name1-benzyl-6-bromoindole-2,3-dione
PubChem CID16752331
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name1-benzyl-6-bromoindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)17(15(19)14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYGLYTXQMVGIKBW-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-benzyl-6-bromoindole-2,3-dione?
The IUPAC name of 1-benzyl-6-bromoindole-2,3-dione (CID 16752331) is 1-benzyl-6-bromoindole-2,3-dione.
What is the SMILES notation for 1-benzyl-6-bromoindole-2,3-dione?
The canonical SMILES for 1-benzyl-6-bromoindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21.
What is the InChIKey of 1-benzyl-6-bromoindole-2,3-dione?
The InChIKey is YGLYTXQMVGIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)17(15(19)14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-benzyl-6-bromoindole-2,3-dione?
1-benzyl-6-bromoindole-2,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromoindole-2,3-dione is sourced from PubChem (CID 16752331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).