(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one

C14H16ClNO2 — CID 2290884

IUPAC(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H16ClNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+
InChIKeyWTYKLHFLSAYFHE-ZHACJKMWSA-N
MW265.74 g/mol
LogP2.76
Rot. Bonds3

About (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one

(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one (PubChem CID 2290884) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
PubChem CID2290884
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H16ClNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+
InChIKeyWTYKLHFLSAYFHE-ZHACJKMWSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.76
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

1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118
(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 6510007
1-(4-chlorophenyl)-3-(4-morpholin-4-ylanilino)but-2-en-1-one
CID 2953290
3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-ylprop-2-en-1-one
CID 69169085
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
4-morpholin-4-ylpent-3-en-2-one
CID 592427
(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
S-[2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbothioate
CID 2726464
(E)-1-(4-chlorophenyl)-3-pyrrolidin-1-ylpent-2-en-1-one
CID 122389564
(E)-1-(4-chlorophenyl)-2-morpholin-4-yl-3-phenylprop-2-en-1-one
CID 6372943
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
CID 141051954

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one (CID 2290884) is (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one is C/C(=C\C(=O)c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The InChIKey is WTYKLHFLSAYFHE-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one has a molecular weight of 265.74 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 2290884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).