(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride

C16H22ClNO2 — CID 12842152

IUPAC(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCc1ccc(/C=C/C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-14-2-4-15(5-3-14)6-7-16(18)8-9-17-10-12-19-13-11-17;/h2-7H,8-13H2,1H3;1H/b7-6+;
InChIKeyMTPFRZKCPZOSJE-UHDJGPCESA-N
MW295.81 g/mol
LogP2.72
Rot. Bonds5

About (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride

(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (PubChem CID 12842152) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
PubChem CID12842152
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCc1ccc(/C=C/C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-14-2-4-15(5-3-14)6-7-16(18)8-9-17-10-12-19-13-11-17;/h2-7H,8-13H2,1H3;1H/b7-6+;
InChIKeyMTPFRZKCPZOSJE-UHDJGPCESA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.72
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)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The IUPAC name of (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (CID 12842152) is (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The canonical SMILES for (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is Cc1ccc(/C=C/C(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The InChIKey is MTPFRZKCPZOSJE-UHDJGPCESA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-14-2-4-15(5-3-14)6-7-16(18)8-9-17-10-12-19-13-11-17;/h2-7H,8-13H2,1H3;1H/b7-6+;.
What are the key properties of (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
(E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 12842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).