(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one

C21H23NO2 — CID 5386799

IUPAC(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one
SMILESO=C(CCN1CCOCC1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-21(11-12-22-13-15-24-16-14-22)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-10,17H,11-16H2/b20-17+
InChIKeyJYGSGXREECBQGN-LVZFUZTISA-N
MW321.42 g/mol
LogP3.52
Rot. Bonds6

About (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one

(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one (PubChem CID 5386799) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one
PubChem CID5386799
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one
SMILESO=C(CCN1CCOCC1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c23-21(11-12-22-13-15-24-16-14-22)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-10,17H,11-16H2/b20-17+
InChIKeyJYGSGXREECBQGN-LVZFUZTISA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
phenyl 3-morpholin-4-ylpropanoate
CID 12036172
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
3-MORPHOLIN-4-YL-N-PHENYL-PROPIONAMIDE HYDROCHLORIDE
CID 156595356
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873960
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050

Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one?
The IUPAC name of (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one (CID 5386799) is (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one?
The canonical SMILES for (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one is O=C(CCN1CCOCC1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one?
The InChIKey is JYGSGXREECBQGN-LVZFUZTISA-N. The full InChI is InChI=1S/C21H23NO2/c23-21(11-12-22-13-15-24-16-14-22)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-10,17H,11-16H2/b20-17+.
What are the key properties of (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one?
(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one has a molecular weight of 321.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one is sourced from PubChem (CID 5386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).