(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

C13H13Cl2NO2 — CID 2169518

IUPAC(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1c(Cl)cccc1Cl)N1CCOCC1
InChIInChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2/b5-4-
InChIKeyJOCFGTSETGWADZ-PLNGDYQASA-N
MW286.16 g/mol
LogP2.87
Rot. Bonds2

About (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 2169518) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID2169518
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1c(Cl)cccc1Cl)N1CCOCC1
InChIInChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2/b5-4-
InChIKeyJOCFGTSETGWADZ-PLNGDYQASA-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

3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 3638311
3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
(E)-3-(2,6-dichlorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one
CID 17164954
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]azetidine-3-carboxylic acid
CID 77034589
3-(2,6-dichlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79028351
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70518223
1-[3-(2,6-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78779450
(E)-1-(4-benzoylpiperidin-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
CID 41309388
3-[2,3-dichloro-4-[2,3-dichloro-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)phenyl]sulfanylphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 70151403
(E)-3-(2-chloro-6-fluorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1313172
(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 94642545

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 2169518) is (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C\c1c(Cl)cccc1Cl)N1CCOCC1.
What is the InChIKey of (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is JOCFGTSETGWADZ-PLNGDYQASA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2/b5-4-.
What are the key properties of (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
(Z)-3-(2,6-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 (Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 2169518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).