3-(2-bromopentanoyl)-1,3-oxazolidin-2-one

C8H12BrNO3 — CID 22404846

IUPAC3-(2-bromopentanoyl)-1,3-oxazolidin-2-one
SMILESCCCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C8H12BrNO3/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3
InChIKeyLKFCXLWAQQMWPC-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.53
Rot. Bonds3

About 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one

3-(2-bromopentanoyl)-1,3-oxazolidin-2-one (PubChem CID 22404846) has the molecular formula C8H12BrNO3 and a molecular weight of 250.09 g/mol. Its IUPAC name is 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromopentanoyl)-1,3-oxazolidin-2-one
PubChem CID22404846
Molecular FormulaC8H12BrNO3
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name3-(2-bromopentanoyl)-1,3-oxazolidin-2-one
SMILESCCCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C8H12BrNO3/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3
InChIKeyLKFCXLWAQQMWPC-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.53
H-Bond Donors ≤ 50
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 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one (CID 22404846) is 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one is CCCC(Br)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is LKFCXLWAQQMWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3.
What are the key properties of 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one?
3-(2-bromopentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 250.09 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22404846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).