2-benzylidene-6-ethyl-4-phenylmorpholin-3-one

C19H19NO2 — CID 154722044

IUPAC2-benzylidene-6-ethyl-4-phenylmorpholin-3-one
SMILESCCC1CN(c2ccccc2)C(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-2-17-14-20(16-11-7-4-8-12-16)19(21)18(22-17)13-15-9-5-3-6-10-15/h3-13,17H,2,14H2,1H3
InChIKeyWSUALGUSOZNTNS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.87
Rot. Bonds3

About 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one

2-benzylidene-6-ethyl-4-phenylmorpholin-3-one (PubChem CID 154722044) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one.

Molecular Properties

Compound Name2-benzylidene-6-ethyl-4-phenylmorpholin-3-one
PubChem CID154722044
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-benzylidene-6-ethyl-4-phenylmorpholin-3-one
SMILESCCC1CN(c2ccccc2)C(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C19H19NO2/c1-2-17-14-20(16-11-7-4-8-12-16)19(21)18(22-17)13-15-9-5-3-6-10-15/h3-13,17H,2,14H2,1H3
InChIKeyWSUALGUSOZNTNS-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one?
The IUPAC name of 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one (CID 154722044) is 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one.
What is the SMILES notation for 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one?
The canonical SMILES for 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one is CCC1CN(c2ccccc2)C(=O)C(=Cc2ccccc2)O1.
What is the InChIKey of 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one?
The InChIKey is WSUALGUSOZNTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-17-14-20(16-11-7-4-8-12-16)19(21)18(22-17)13-15-9-5-3-6-10-15/h3-13,17H,2,14H2,1H3.
What are the key properties of 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one?
2-benzylidene-6-ethyl-4-phenylmorpholin-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-ethyl-4-phenylmorpholin-3-one is sourced from PubChem (CID 154722044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).