(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one

C13H15NO2 — CID 691098

IUPAC(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+
InChIKeyAXICCPYRMWRPMS-VOTSOKGWSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds2

About (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one

(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one (PubChem CID 691098) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
PubChem CID691098
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+
InChIKeyAXICCPYRMWRPMS-VOTSOKGWSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
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)-1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one (CID 691098) is (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one?
The InChIKey is AXICCPYRMWRPMS-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+.
What are the key properties of (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one?
(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 691098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).