6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one

C10H7BrO3 — CID 10944996

IUPAC6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
SMILESO=C1c2cc3c(cc2CC1Br)OCO3
InChIInChI=1S/C10H7BrO3/c11-7-1-5-2-8-9(14-4-13-8)3-6(5)10(7)12/h2-3,7H,1,4H2
InChIKeyPFFIQOPSGRRQFP-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.92
Rot. Bonds

About 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one

6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one (PubChem CID 10944996) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one.

Molecular Properties

Compound Name6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
PubChem CID10944996
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
SMILESO=C1c2cc3c(cc2CC1Br)OCO3
InChIInChI=1S/C10H7BrO3/c11-7-1-5-2-8-9(14-4-13-8)3-6(5)10(7)12/h2-3,7H,1,4H2
InChIKeyPFFIQOPSGRRQFP-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one?
The IUPAC name of 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one (CID 10944996) is 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one.
What is the SMILES notation for 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one?
The canonical SMILES for 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one is O=C1c2cc3c(cc2CC1Br)OCO3.
What is the InChIKey of 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one?
The InChIKey is PFFIQOPSGRRQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-7-1-5-2-8-9(14-4-13-8)3-6(5)10(7)12/h2-3,7H,1,4H2.
What are the key properties of 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one?
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one has a molecular weight of 255.07 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one is sourced from PubChem (CID 10944996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).