(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride

C15H20ClNO2 — CID 5386805

IUPAC(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(/C=C/c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO2.ClH/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16;/h1-7H,8-13H2;1H/b7-6+;
InChIKeyGWNLEXKNAOCIOV-UHDJGPCESA-N
MW281.78 g/mol
LogP2.41
Rot. Bonds5

About (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride

(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride (PubChem CID 5386805) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
PubChem CID5386805
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(/C=C/c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO2.ClH/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16;/h1-7H,8-13H2;1H/b7-6+;
InChIKeyGWNLEXKNAOCIOV-UHDJGPCESA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The IUPAC name of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride (CID 5386805) is (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The canonical SMILES for (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride is Cl.O=C(/C=C/c1ccccc1)CCN1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The InChIKey is GWNLEXKNAOCIOV-UHDJGPCESA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16;/h1-7H,8-13H2;1H/b7-6+;.
What are the key properties of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.41, 5 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-phenylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 5386805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).