7-(4-bromobut-1-enyl)-1H-indole-2,3-dione

C12H10BrNO2 — CID 170498183

IUPAC7-(4-bromobut-1-enyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(C=CCCBr)cccc2C1=O
InChIInChI=1S/C12H10BrNO2/c13-7-2-1-4-8-5-3-6-9-10(8)14-12(16)11(9)15/h1,3-6H,2,7H2,(H,14,15,16)
InChIKeyWVGLJCIJQOWOIU-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.62
Rot. Bonds3

About 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione

7-(4-bromobut-1-enyl)-1H-indole-2,3-dione (PubChem CID 170498183) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-(4-bromobut-1-enyl)-1H-indole-2,3-dione
PubChem CID170498183
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name7-(4-bromobut-1-enyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(C=CCCBr)cccc2C1=O
InChIInChI=1S/C12H10BrNO2/c13-7-2-1-4-8-5-3-6-9-10(8)14-12(16)11(9)15/h1,3-6H,2,7H2,(H,14,15,16)
InChIKeyWVGLJCIJQOWOIU-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The IUPAC name of 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione (CID 170498183) is 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione.
What is the SMILES notation for 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The canonical SMILES for 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione is O=C1Nc2c(C=CCCBr)cccc2C1=O.
What is the InChIKey of 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
The InChIKey is WVGLJCIJQOWOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-7-2-1-4-8-5-3-6-9-10(8)14-12(16)11(9)15/h1,3-6H,2,7H2,(H,14,15,16).
What are the key properties of 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione?
7-(4-bromobut-1-enyl)-1H-indole-2,3-dione has a molecular weight of 280.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromobut-1-enyl)-1H-indole-2,3-dione is sourced from PubChem (CID 170498183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).