(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one

C13H15NO2 — CID 142237939

IUPAC(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
SMILESC/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10/h2-8,11,13-14H,9H2,1H3/b6-2+/t11-,13+/m1/s1
InChIKeyZESHVICSNIZCAC-YMCXZANPSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds2

About (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one

(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one (PubChem CID 142237939) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one.

Molecular Properties

Compound Name(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
PubChem CID142237939
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
SMILESC/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10/h2-8,11,13-14H,9H2,1H3/b6-2+/t11-,13+/m1/s1
InChIKeyZESHVICSNIZCAC-YMCXZANPSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The IUPAC name of (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one (CID 142237939) is (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one.
What is the SMILES notation for (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The canonical SMILES for (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one is C/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The InChIKey is ZESHVICSNIZCAC-YMCXZANPSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10/h2-8,11,13-14H,9H2,1H3/b6-2+/t11-,13+/m1/s1.
What are the key properties of (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one is sourced from PubChem (CID 142237939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).