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

C13H14ClNO2 — CID 692386

IUPAC(E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H14ClNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+
InChIKeyZJPKEPANXMIBBZ-ZZXKWVIFSA-N
MW251.71 g/mol
LogP2.21
Rot. Bonds2

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

(E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 692386) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID692386
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C13H14ClNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+
InChIKeyZJPKEPANXMIBBZ-ZZXKWVIFSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 692386) is (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is ZJPKEPANXMIBBZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(4-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 (E)-3-(4-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 692386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).