(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one

C15H19NO2 — CID 6446032

IUPAC(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one
SMILESC/C(=C\c1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO2/c1-13(11-14-5-3-2-4-6-14)12-15(17)16-7-9-18-10-8-16/h2-6,11H,7-10,12H2,1H3/b13-11+
InChIKeyBPNYZCJYLTULPB-ACCUITESSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds3

About (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one

(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one (PubChem CID 6446032) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one.

Molecular Properties

Compound Name(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one
PubChem CID6446032
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one
SMILESC/C(=C\c1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C15H19NO2/c1-13(11-14-5-3-2-4-6-14)12-15(17)16-7-9-18-10-8-16/h2-6,11H,7-10,12H2,1H3/b13-11+
InChIKeyBPNYZCJYLTULPB-ACCUITESSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-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)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The IUPAC name of (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one (CID 6446032) is (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one.
What is the SMILES notation for (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The canonical SMILES for (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one is C/C(=C\c1ccccc1)CC(=O)N1CCOCC1.
What is the InChIKey of (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
The InChIKey is BPNYZCJYLTULPB-ACCUITESSA-N. The full InChI is InChI=1S/C15H19NO2/c1-13(11-14-5-3-2-4-6-14)12-15(17)16-7-9-18-10-8-16/h2-6,11H,7-10,12H2,1H3/b13-11+.
What are the key properties of (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one?
(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one is sourced from PubChem (CID 6446032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).