(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one

C15H25NO2 — CID 166438548

IUPAC(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1
InChIKeyUVCBLDALFTWICR-UONOGXRCSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds2

About (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one

(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one (PubChem CID 166438548) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
PubChem CID166438548
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
SMILESO=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1
InChIKeyUVCBLDALFTWICR-UONOGXRCSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one (CID 166438548) is (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one is O=C1[C@H](O)[C@H](C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
The InChIKey is UVCBLDALFTWICR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-14,17H,1-10H2/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one?
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one is sourced from PubChem (CID 166438548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).