(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C13H15NO4 — CID 155564830

IUPAC(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)N1CCOCC1
InChIInChI=1S/C13H15NO4/c15-11-3-1-10(12(16)9-11)2-4-13(17)14-5-7-18-8-6-14/h1-4,9,15-16H,5-8H2/b4-2+
InChIKeyRFAMBZGTZGVSJM-DUXPYHPUSA-N
MW249.27 g/mol
LogP0.97
Rot. Bonds2

About (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 155564830) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID155564830
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)N1CCOCC1
InChIInChI=1S/C13H15NO4/c15-11-3-1-10(12(16)9-11)2-4-13(17)14-5-7-18-8-6-14/h1-4,9,15-16H,5-8H2/b4-2+
InChIKeyRFAMBZGTZGVSJM-DUXPYHPUSA-N
XLogP0.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 155564830) is (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1O)N1CCOCC1.
What is the InChIKey of (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is RFAMBZGTZGVSJM-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-3-1-10(12(16)9-11)2-4-13(17)14-5-7-18-8-6-14/h1-4,9,15-16H,5-8H2/b4-2+.
What are the key properties of (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 249.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dihydroxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 155564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).