4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one

C7H10BrNO2 — CID 102589433

IUPAC4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CC/C=C\Br)CO1
InChIInChI=1S/C7H10BrNO2/c8-4-2-1-3-6-5-11-7(10)9-6/h2,4,6H,1,3,5H2,(H,9,10)/b4-2-
InChIKeyDWRUUFJZZFXFBC-RQOWECAXSA-N
MW220.07 g/mol
LogP1.78
Rot. Bonds3

About 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one

4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one (PubChem CID 102589433) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one
PubChem CID102589433
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CC/C=C\Br)CO1
InChIInChI=1S/C7H10BrNO2/c8-4-2-1-3-6-5-11-7(10)9-6/h2,4,6H,1,3,5H2,(H,9,10)/b4-2-
InChIKeyDWRUUFJZZFXFBC-RQOWECAXSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(Z)-4-bromobut-3-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

(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
CID 14941759
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4R)-4-[(E,1S)-1-bromobut-2-enyl]-1,3-oxazolidin-2-one
CID 132524617
(4R)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 640426
(4R)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 640427
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
5-Methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632304
(4S,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632307
4-Prop-2-enyl-1,3-oxazolidin-2-one
CID 21673737
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one (CID 102589433) is 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one is O=C1NC(CC/C=C\Br)CO1.
What is the InChIKey of 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DWRUUFJZZFXFBC-RQOWECAXSA-N. The full InChI is InChI=1S/C7H10BrNO2/c8-4-2-1-3-6-5-11-7(10)9-6/h2,4,6H,1,3,5H2,(H,9,10)/b4-2-.
What are the key properties of 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one?
4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one has a molecular weight of 220.07 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102589433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).