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

C13H15NO2 — CID 2366715

IUPAC(E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-7H,8-11H2/b7-6+
InChIKeyGTAHTHUGNVIJEK-VOTSOKGWSA-N
MW217.27 g/mol
LogP1.72
Rot. Bonds3

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

(E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one (PubChem CID 2366715) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one
PubChem CID2366715
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H15NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-7H,8-11H2/b7-6+
InChIKeyGTAHTHUGNVIJEK-VOTSOKGWSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one (CID 2366715) is (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one is O=C(/C=C/N1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one?
The InChIKey is GTAHTHUGNVIJEK-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-7H,8-11H2/b7-6+.
What are the key properties of (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one?
(E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-morpholin-4-yl-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2366715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).