4-bromo-2-propyl-1,2-oxazolidin-3-one

C6H10BrNO2 — CID 54306336

IUPAC4-bromo-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OCC(Br)C1=O
InChIInChI=1S/C6H10BrNO2/c1-2-3-8-6(9)5(7)4-10-8/h5H,2-4H2,1H3
InChIKeySHUBMWXRHBEQQW-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.93
Rot. Bonds2

About 4-bromo-2-propyl-1,2-oxazolidin-3-one

4-bromo-2-propyl-1,2-oxazolidin-3-one (PubChem CID 54306336) has the molecular formula C6H10BrNO2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 4-bromo-2-propyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-bromo-2-propyl-1,2-oxazolidin-3-one
PubChem CID54306336
Molecular FormulaC6H10BrNO2
Molecular Weight208.05 g/mol
Exact Mass206.99
IUPAC Name4-bromo-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OCC(Br)C1=O
InChIInChI=1S/C6H10BrNO2/c1-2-3-8-6(9)5(7)4-10-8/h5H,2-4H2,1H3
InChIKeySHUBMWXRHBEQQW-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-bromo-2-propyl-1,2-oxazolidin-3-one?
The IUPAC name of 4-bromo-2-propyl-1,2-oxazolidin-3-one (CID 54306336) is 4-bromo-2-propyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-bromo-2-propyl-1,2-oxazolidin-3-one?
The canonical SMILES for 4-bromo-2-propyl-1,2-oxazolidin-3-one is CCCN1OCC(Br)C1=O.
What is the InChIKey of 4-bromo-2-propyl-1,2-oxazolidin-3-one?
The InChIKey is SHUBMWXRHBEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO2/c1-2-3-8-6(9)5(7)4-10-8/h5H,2-4H2,1H3.
What are the key properties of 4-bromo-2-propyl-1,2-oxazolidin-3-one?
4-bromo-2-propyl-1,2-oxazolidin-3-one has a molecular weight of 208.05 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-propyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 54306336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).