1-(4-bromophenyl)-3-hydroxyazetidin-2-one

C9H8BrNO2 — CID 141314029

IUPAC1-(4-bromophenyl)-3-hydroxyazetidin-2-one
SMILESO=C1C(O)CN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c10-6-1-3-7(4-2-6)11-5-8(12)9(11)13/h1-4,8,12H,5H2
InChIKeyVZCASWKJGWBEPE-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.16
Rot. Bonds1

About 1-(4-bromophenyl)-3-hydroxyazetidin-2-one

1-(4-bromophenyl)-3-hydroxyazetidin-2-one (PubChem CID 141314029) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-hydroxyazetidin-2-one
PubChem CID141314029
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name1-(4-bromophenyl)-3-hydroxyazetidin-2-one
SMILESO=C1C(O)CN1c1ccc(Br)cc1
InChIInChI=1S/C9H8BrNO2/c10-6-1-3-7(4-2-6)11-5-8(12)9(11)13/h1-4,8,12H,5H2
InChIKeyVZCASWKJGWBEPE-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-hydroxyazetidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-hydroxyazetidin-2-one (CID 141314029) is 1-(4-bromophenyl)-3-hydroxyazetidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-hydroxyazetidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-hydroxyazetidin-2-one is O=C1C(O)CN1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-hydroxyazetidin-2-one?
The InChIKey is VZCASWKJGWBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-6-1-3-7(4-2-6)11-5-8(12)9(11)13/h1-4,8,12H,5H2.
What are the key properties of 1-(4-bromophenyl)-3-hydroxyazetidin-2-one?
1-(4-bromophenyl)-3-hydroxyazetidin-2-one has a molecular weight of 242.07 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-hydroxyazetidin-2-one is sourced from PubChem (CID 141314029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).