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

C15H20ClNO3 — CID 70534836

IUPAC1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(C=Cc1ccc(O)cc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO3.ClH/c17-14-4-1-13(2-5-14)3-6-15(18)7-8-16-9-11-19-12-10-16;/h1-6,17H,7-12H2;1H
InChIKeyIZOJLNBWCNGYCT-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.12
Rot. Bonds5

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

1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (PubChem CID 70534836) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
PubChem CID70534836
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(C=Cc1ccc(O)cc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO3.ClH/c17-14-4-1-13(2-5-14)3-6-15(18)7-8-16-9-11-19-12-10-16;/h1-6,17H,7-12H2;1H
InChIKeyIZOJLNBWCNGYCT-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70518223
ethyl 1-[(E)-5-(4-hydroxyphenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate;hydrochloride
CID 140528482
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
(E)-1-(4-fluorophenyl)-5-piperidin-1-ylpent-1-en-3-one
CID 59444030
1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one
CID 57170741
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The IUPAC name of 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (CID 70534836) is 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is Cl.O=C(C=Cc1ccc(O)cc1)CCN1CCOCC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The InChIKey is IZOJLNBWCNGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.ClH/c17-14-4-1-13(2-5-14)3-6-15(18)7-8-16-9-11-19-12-10-16;/h1-6,17H,7-12H2;1H.
What are the key properties of 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride has a molecular weight of 297.78 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 70534836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).