(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

C13H14ClNO2 — CID 93012407

IUPAC(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H14ClNO2/c14-12-3-1-2-11(10-12)4-5-13(16)15-6-8-17-9-7-15/h1-5,10H,6-9H2/b5-4-
InChIKeyPLSOZHVWBRFWEJ-PLNGDYQASA-N
MW251.71 g/mol
LogP2.21
Rot. Bonds2

About (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 93012407) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID93012407
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H14ClNO2/c14-12-3-1-2-11(10-12)4-5-13(16)15-6-8-17-9-7-15/h1-5,10H,6-9H2/b5-4-
InChIKeyPLSOZHVWBRFWEJ-PLNGDYQASA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.21
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

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(E)-3-(3-chlorophenyl)-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108932482
(E)-3-(3-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9228502
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
3-(3-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
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3-(3-chlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 4657044
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
3-(3-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 2932782
4-[3-(3-morpholin-4-yl-3-oxoprop-1-enyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 2902024

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 93012407) is (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C\c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is PLSOZHVWBRFWEJ-PLNGDYQASA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-12-3-1-2-11(10-12)4-5-13(16)15-6-8-17-9-7-15/h1-5,10H,6-9H2/b5-4-.
What are the key properties of (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 251.71 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 93012407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).