(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one

C7H10BrNO2 — CID 132524617

IUPAC(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](Br)[C@H]1COC(=O)N1
InChIInChI=1S/C7H10BrNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h2-3,5-6H,4H2,1H3,(H,9,10)/b3-2+/t5-,6+/m0/s1
InChIKeyXISNMDKVIUXFJC-KFBNRENSSA-N
MW220.07 g/mol
LogP1.43
Rot. Bonds2

About (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one

(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 132524617) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one
PubChem CID132524617
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](Br)[C@H]1COC(=O)N1
InChIInChI=1S/C7H10BrNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h2-3,5-6H,4H2,1H3,(H,9,10)/b3-2+/t5-,6+/m0/s1
InChIKeyXISNMDKVIUXFJC-KFBNRENSSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
4-(3-Bromobut-3-enyl)-1,3-oxazolidin-2-one
CID 102589431
4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one
CID 102589433

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one (CID 132524617) is (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one is C/C=C/[C@H](Br)[C@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is XISNMDKVIUXFJC-KFBNRENSSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-2-3-5(8)6-4-11-7(10)9-6/h2-3,5-6H,4H2,1H3,(H,9,10)/b3-2+/t5-,6+/m0/s1.
What are the key properties of (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one?
(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 220.07 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132524617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).