5-bromo-1-prop-2-enylindole-2,3-dione

C11H8BrNO2 — CID 2165101

IUPAC5-bromo-1-prop-2-enylindole-2,3-dione
SMILESC=CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H8BrNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h2-4,6H,1,5H2
InChIKeyCUBZPJNMBNGTFC-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.16
Rot. Bonds2

About 5-bromo-1-prop-2-enylindole-2,3-dione

5-bromo-1-prop-2-enylindole-2,3-dione (PubChem CID 2165101) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-bromo-1-prop-2-enylindole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-prop-2-enylindole-2,3-dione
PubChem CID2165101
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name5-bromo-1-prop-2-enylindole-2,3-dione
SMILESC=CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H8BrNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h2-4,6H,1,5H2
InChIKeyCUBZPJNMBNGTFC-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-prop-2-enylindole-2,3-dione?
The IUPAC name of 5-bromo-1-prop-2-enylindole-2,3-dione (CID 2165101) is 5-bromo-1-prop-2-enylindole-2,3-dione.
What is the SMILES notation for 5-bromo-1-prop-2-enylindole-2,3-dione?
The canonical SMILES for 5-bromo-1-prop-2-enylindole-2,3-dione is C=CCN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-prop-2-enylindole-2,3-dione?
The InChIKey is CUBZPJNMBNGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h2-4,6H,1,5H2.
What are the key properties of 5-bromo-1-prop-2-enylindole-2,3-dione?
5-bromo-1-prop-2-enylindole-2,3-dione has a molecular weight of 266.09 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-prop-2-enylindole-2,3-dione is sourced from PubChem (CID 2165101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).