1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride

C15H18Cl3NO2 — CID 70518223

IUPAC1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(C=Cc1c(Cl)cccc1Cl)CCN1CCOCC1
InChIInChI=1S/C15H17Cl2NO2.ClH/c16-14-2-1-3-15(17)13(14)5-4-12(19)6-7-18-8-10-20-11-9-18;/h1-5H,6-11H2;1H
InChIKeyWOQNIXVJNYRJRX-UHFFFAOYSA-N
MW350.67 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride

1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (PubChem CID 70518223) has the molecular formula C15H18Cl3NO2 and a molecular weight of 350.67 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
PubChem CID70518223
Molecular FormulaC15H18Cl3NO2
Molecular Weight350.67 g/mol
Exact Mass349.04
IUPAC Name1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
SMILESCl.O=C(C=Cc1c(Cl)cccc1Cl)CCN1CCOCC1
InChIInChI=1S/C15H17Cl2NO2.ClH/c16-14-2-1-3-15(17)13(14)5-4-12(19)6-7-18-8-10-20-11-9-18;/h1-5H,6-11H2;1H
InChIKeyWOQNIXVJNYRJRX-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.67
LogP ≤ 53.72
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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Related Compounds

(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70534836
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
(E)-1-(4-hydroxyphenyl)-5-morpholin-4-ylpent-1-en-3-one
CID 12842145
(E)-3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 114321214
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
1-(1,3-benzodioxol-2-yl)-5-morpholin-4-ylpent-1-en-3-one
CID 57170741
(E)-5-[4-[(E)-3-oxo-5-phenylpent-4-enyl]piperazin-1-yl]-1-phenylpent-1-en-3-one;hydrochloride
CID 6518597
3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3638311
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride (CID 70518223) is 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is Cl.O=C(C=Cc1c(Cl)cccc1Cl)CCN1CCOCC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
The InChIKey is WOQNIXVJNYRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2.ClH/c16-14-2-1-3-15(17)13(14)5-4-12(19)6-7-18-8-10-20-11-9-18;/h1-5H,6-11H2;1H.
What are the key properties of 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride?
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride has a molecular weight of 350.67 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 70518223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).