4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione

C13H12BrNO4 — CID 63156173

IUPAC4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)c3c(c2)OCCO3)CC(=O)N1
InChIInChI=1S/C13H12BrNO4/c14-9-3-7(4-10-13(9)19-2-1-18-10)8-5-11(16)15-12(17)6-8/h3-4,8H,1-2,5-6H2,(H,15,16,17)
InChIKeyQCYUVQBDIZKSEA-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.74
Rot. Bonds1

About 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione

4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione (PubChem CID 63156173) has the molecular formula C13H12BrNO4 and a molecular weight of 326.15 g/mol. Its IUPAC name is 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione
PubChem CID63156173
Molecular FormulaC13H12BrNO4
Molecular Weight326.15 g/mol
Exact Mass324.99
IUPAC Name4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione
SMILESO=C1CC(c2cc(Br)c3c(c2)OCCO3)CC(=O)N1
InChIInChI=1S/C13H12BrNO4/c14-9-3-7(4-10-13(9)19-2-1-18-10)8-5-11(16)15-12(17)6-8/h3-4,8H,1-2,5-6H2,(H,15,16,17)
InChIKeyQCYUVQBDIZKSEA-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione?
The IUPAC name of 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione (CID 63156173) is 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione.
What is the SMILES notation for 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione?
The canonical SMILES for 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione is O=C1CC(c2cc(Br)c3c(c2)OCCO3)CC(=O)N1.
What is the InChIKey of 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione?
The InChIKey is QCYUVQBDIZKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4/c14-9-3-7(4-10-13(9)19-2-1-18-10)8-5-11(16)15-12(17)6-8/h3-4,8H,1-2,5-6H2,(H,15,16,17).
What are the key properties of 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione?
4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione has a molecular weight of 326.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 63156173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).