(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one

C11H12ClNO2 — CID 67352258

IUPAC(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
SMILESCN1C[C@H](c2ccc(Cl)cc2)OCC1=O
InChIInChI=1S/C11H12ClNO2/c1-13-6-10(15-7-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyYKMCDLMGSNSAPX-SNVBAGLBSA-N
MW225.68 g/mol
LogP1.87
Rot. Bonds1

About (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one

(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one (PubChem CID 67352258) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
PubChem CID67352258
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
SMILESCN1C[C@H](c2ccc(Cl)cc2)OCC1=O
InChIInChI=1S/C11H12ClNO2/c1-13-6-10(15-7-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyYKMCDLMGSNSAPX-SNVBAGLBSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one?
The IUPAC name of (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one (CID 67352258) is (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one.
What is the SMILES notation for (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one?
The canonical SMILES for (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one is CN1C[C@H](c2ccc(Cl)cc2)OCC1=O.
What is the InChIKey of (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one?
The InChIKey is YKMCDLMGSNSAPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-13-6-10(15-7-11(13)14)8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one?
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one has a molecular weight of 225.68 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 67352258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).