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

C15H21NO2 — CID 142237938

IUPACethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
SMILESC/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1.CC
InChIInChI=1S/C13H15NO2.C2H6/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10;1-2/h2-8,11,13-14H,9H2,1H3;1-2H3/b6-2+;/t11-,13+;/m1./s1
InChIKeyUAWKEVZZDPBBGW-VMMITTPZSA-N
MW247.34 g/mol
LogP2.85
Rot. Bonds2

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

ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one (PubChem CID 142237938) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one.

Molecular Properties

Compound Nameethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
PubChem CID142237938
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one
SMILESC/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1.CC
InChIInChI=1S/C13H15NO2.C2H6/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10;1-2/h2-8,11,13-14H,9H2,1H3;1-2H3/b6-2+;/t11-,13+;/m1./s1
InChIKeyUAWKEVZZDPBBGW-VMMITTPZSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The IUPAC name of ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one (CID 142237938) is ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one.
What is the SMILES notation for ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The canonical SMILES for ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one is C/C=C/[C@H]1OC(=O)CN[C@H]1c1ccccc1.CC.
What is the InChIKey of ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
The InChIKey is UAWKEVZZDPBBGW-VMMITTPZSA-N. The full InChI is InChI=1S/C13H15NO2.C2H6/c1-2-6-11-13(14-9-12(15)16-11)10-7-4-3-5-8-10;1-2/h2-8,11,13-14H,9H2,1H3;1-2H3/b6-2+;/t11-,13+;/m1./s1.
What are the key properties of ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one?
ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5S,6R)-5-phenyl-6-[(E)-prop-1-enyl]morpholin-2-one is sourced from PubChem (CID 142237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).