7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde

C10H7BrO2 — CID 135270965

IUPAC7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde
SMILESO=Cc1ccc(Br)c2c1CCC2=O
InChIInChI=1S/C10H7BrO2/c11-8-3-1-6(5-12)7-2-4-9(13)10(7)8/h1,3,5H,2,4H2
InChIKeyGNKXAEZWQJFJIT-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.39
Rot. Bonds1

About 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde

7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde (PubChem CID 135270965) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde.

Molecular Properties

Compound Name7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde
PubChem CID135270965
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde
SMILESO=Cc1ccc(Br)c2c1CCC2=O
InChIInChI=1S/C10H7BrO2/c11-8-3-1-6(5-12)7-2-4-9(13)10(7)8/h1,3,5H,2,4H2
InChIKeyGNKXAEZWQJFJIT-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde?
The IUPAC name of 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde (CID 135270965) is 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde.
What is the SMILES notation for 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde?
The canonical SMILES for 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde is O=Cc1ccc(Br)c2c1CCC2=O.
What is the InChIKey of 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde?
The InChIKey is GNKXAEZWQJFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-8-3-1-6(5-12)7-2-4-9(13)10(7)8/h1,3,5H,2,4H2.
What are the key properties of 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde?
7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-oxo-2,3-dihydroindene-4-carbaldehyde is sourced from PubChem (CID 135270965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).