2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

C13H13Cl2NO2 — CID 3007422

IUPAC2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO2/c1-9(11-3-2-10(14)8-12(11)15)13(17)16-4-6-18-7-5-16/h2-3,8H,1,4-7H2
InChIKeyFYOPYTIYKOEKLG-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.87
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 3007422) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID3007422
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO2/c1-9(11-3-2-10(14)8-12(11)15)13(17)16-4-6-18-7-5-16/h2-3,8H,1,4-7H2
InChIKeyFYOPYTIYKOEKLG-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
1-morpholin-4-yl-2-[4-sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-en-1-one
CID 22557204
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,4-oxazepan-5-one
CID 112738938
(Z)-3-(2,5-dichloroanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843576
2-(2,4-dichlorophenyl)-1-(5-methyl-1,3-dioxan-5-yl)prop-2-en-1-one
CID 70352607
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 10361076
[4-chloro-2-(morpholine-4-carbothioyl)phenyl] 2,5-dichlorobenzoate
CID 1329344

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 3007422) is 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is C=C(C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is FYOPYTIYKOEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-9(11-3-2-10(14)8-12(11)15)13(17)16-4-6-18-7-5-16/h2-3,8H,1,4-7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 286.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 3007422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).