(5S)-5-benzylmorpholin-3-one

C11H13NO2 — CID 10607734

IUPAC(5S)-5-benzylmorpholin-3-one
SMILESO=C1COC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKeyPXPFDUZBGQDAEP-JTQLQIEISA-N
MW191.23 g/mol
LogP0.74
Rot. Bonds2

About (5S)-5-benzylmorpholin-3-one

(5S)-5-benzylmorpholin-3-one (PubChem CID 10607734) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5S)-5-benzylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-5-benzylmorpholin-3-one
PubChem CID10607734
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(5S)-5-benzylmorpholin-3-one
SMILESO=C1COC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKeyPXPFDUZBGQDAEP-JTQLQIEISA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzylmorpholin-3-one?
The IUPAC name of (5S)-5-benzylmorpholin-3-one (CID 10607734) is (5S)-5-benzylmorpholin-3-one.
What is the SMILES notation for (5S)-5-benzylmorpholin-3-one?
The canonical SMILES for (5S)-5-benzylmorpholin-3-one is O=C1COC[C@H](Cc2ccccc2)N1.
What is the InChIKey of (5S)-5-benzylmorpholin-3-one?
The InChIKey is PXPFDUZBGQDAEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c13-11-8-14-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (5S)-5-benzylmorpholin-3-one?
(5S)-5-benzylmorpholin-3-one has a molecular weight of 191.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzylmorpholin-3-one is sourced from PubChem (CID 10607734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).