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

C7H10BrNO2 — CID 102589431

IUPAC4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one
SMILESC=C(Br)CCC1COC(=O)N1
InChIInChI=1S/C7H10BrNO2/c1-5(8)2-3-6-4-11-7(10)9-6/h6H,1-4H2,(H,9,10)
InChIKeyDYCQOSNJPFJDMB-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.78
Rot. Bonds3

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

4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one (PubChem CID 102589431) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one
PubChem CID102589431
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one
SMILESC=C(Br)CCC1COC(=O)N1
InChIInChI=1S/C7H10BrNO2/c1-5(8)2-3-6-4-11-7(10)9-6/h6H,1-4H2,(H,9,10)
InChIKeyDYCQOSNJPFJDMB-UHFFFAOYSA-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

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Related Compounds

(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
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978
4-(2-Methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 69527292
(4S)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 101512943
4-[(Z)-4-bromobut-3-enyl]-1,3-oxazolidin-2-one
CID 102589433

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one (CID 102589431) is 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one is C=C(Br)CCC1COC(=O)N1.
What is the InChIKey of 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one?
The InChIKey is DYCQOSNJPFJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c1-5(8)2-3-6-4-11-7(10)9-6/h6H,1-4H2,(H,9,10).
What are the key properties of 4-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one?
4-(3-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-(3-bromobut-3-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102589431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).