(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one

C15H19NO2 — CID 5386806

IUPAC(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO2/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16/h1-7H,8-13H2/b7-6+
InChIKeyGBODZDQQWLZBRS-VOTSOKGWSA-N
MW245.32 g/mol
LogP1.99
Rot. Bonds5

About (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one

(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one (PubChem CID 5386806) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one
PubChem CID5386806
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C15H19NO2/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16/h1-7H,8-13H2/b7-6+
InChIKeyGBODZDQQWLZBRS-VOTSOKGWSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one?
The IUPAC name of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one (CID 5386806) is (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one?
The canonical SMILES for (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one is O=C(/C=C/c1ccccc1)CCN1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one?
The InChIKey is GBODZDQQWLZBRS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(7-6-14-4-2-1-3-5-14)8-9-16-10-12-18-13-11-16/h1-7H,8-13H2/b7-6+.
What are the key properties of (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one?
(E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one has a molecular weight of 245.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-yl-1-phenylpent-1-en-3-one is sourced from PubChem (CID 5386806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).