5-bromo-1,3-oxazinane-2,4-dione

C4H4BrNO3 — CID 163258828

IUPAC5-bromo-1,3-oxazinane-2,4-dione
SMILESO=C1NC(=O)C(Br)CO1
InChIInChI=1S/C4H4BrNO3/c5-2-1-9-4(8)6-3(2)7/h2H,1H2,(H,6,7,8)
InChIKeyBRZJILKJMBMCEL-UHFFFAOYSA-N
MW193.98 g/mol
LogP0.02
Rot. Bonds

About 5-bromo-1,3-oxazinane-2,4-dione

5-bromo-1,3-oxazinane-2,4-dione (PubChem CID 163258828) has the molecular formula C4H4BrNO3 and a molecular weight of 193.98 g/mol. Its IUPAC name is 5-bromo-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-oxazinane-2,4-dione
PubChem CID163258828
Molecular FormulaC4H4BrNO3
Molecular Weight193.98 g/mol
Exact Mass192.94
IUPAC Name5-bromo-1,3-oxazinane-2,4-dione
SMILESO=C1NC(=O)C(Br)CO1
InChIInChI=1S/C4H4BrNO3/c5-2-1-9-4(8)6-3(2)7/h2H,1H2,(H,6,7,8)
InChIKeyBRZJILKJMBMCEL-UHFFFAOYSA-N
XLogP0.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-oxazinane-2,4-dione?
The IUPAC name of 5-bromo-1,3-oxazinane-2,4-dione (CID 163258828) is 5-bromo-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5-bromo-1,3-oxazinane-2,4-dione is O=C1NC(=O)C(Br)CO1.
What is the InChIKey of 5-bromo-1,3-oxazinane-2,4-dione?
The InChIKey is BRZJILKJMBMCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO3/c5-2-1-9-4(8)6-3(2)7/h2H,1H2,(H,6,7,8).
What are the key properties of 5-bromo-1,3-oxazinane-2,4-dione?
5-bromo-1,3-oxazinane-2,4-dione has a molecular weight of 193.98 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 163258828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).