(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one

C9H15NO2 — CID 11819439

IUPAC(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1N[C@@H](C2CCCCC2)[C@H]1O
InChIInChI=1S/C9H15NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h6-8,11H,1-5H2,(H,10,12)/t7-,8+/m0/s1
InChIKeyJHTSLEYVTKBQTI-JGVFFNPUSA-N
MW169.22 g/mol
LogP0.43
Rot. Bonds1

About (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one

(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one (PubChem CID 11819439) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one
PubChem CID11819439
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1N[C@@H](C2CCCCC2)[C@H]1O
InChIInChI=1S/C9H15NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h6-8,11H,1-5H2,(H,10,12)/t7-,8+/m0/s1
InChIKeyJHTSLEYVTKBQTI-JGVFFNPUSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one (CID 11819439) is (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one is O=C1N[C@@H](C2CCCCC2)[C@H]1O.
What is the InChIKey of (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one?
The InChIKey is JHTSLEYVTKBQTI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h6-8,11H,1-5H2,(H,10,12)/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one?
(3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclohexyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 11819439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).