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

C7H10BrNO3 — CID 15313369

IUPAC3-(2-bromobutanoyl)-1,3-oxazolidin-2-one
SMILESCCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C7H10BrNO3/c1-2-5(8)6(10)9-3-4-12-7(9)11/h5H,2-4H2,1H3
InChIKeyBSYVDAIZQAIFEX-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.14
Rot. Bonds2

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

3-(2-bromobutanoyl)-1,3-oxazolidin-2-one (PubChem CID 15313369) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromobutanoyl)-1,3-oxazolidin-2-one
PubChem CID15313369
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name3-(2-bromobutanoyl)-1,3-oxazolidin-2-one
SMILESCCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C7H10BrNO3/c1-2-5(8)6(10)9-3-4-12-7(9)11/h5H,2-4H2,1H3
InChIKeyBSYVDAIZQAIFEX-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2'-Bromopropionyl)oxazolidin-2-one
CID 10922077
N-(4-bromobutyryl)oxazolidinone
CID 85668106
Bromopropionyl oxazolidinone
CID 130736703
3-(4-Bromohexanoyl)-1,3-oxazolidin-2-one
CID 134900835
(4S)-3-(2-bromobutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11821925
2-Oxazolidinone, 3-(1-oxobutyl)-
CID 11240626
Ethyl 2-(3-bromo-2-oxopyrrolidin-1-yl)acetate
CID 14257595
3-(2-Bromopentanoyl)-1,3-oxazolidin-2-one
CID 22404846
3-(5-Bromopentanoyl)-1,3-oxazolidin-2-one
CID 54194262
(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
CID 59100835
3-Bromo-1-(2-ethoxyethyl)pyrrolidin-2-one
CID 63787864
3-Bromo-1-(2-methoxyethyl)pyrrolidin-2-one
CID 63790343

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one (CID 15313369) is 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one is CCC(Br)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is BSYVDAIZQAIFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO3/c1-2-5(8)6(10)9-3-4-12-7(9)11/h5H,2-4H2,1H3.
What are the key properties of 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one?
3-(2-bromobutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 236.06 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromobutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15313369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).