(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one

C15H20N2O2 — CID 115342884

IUPAC(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2ccc(N)cc2)C(C)CO1
InChIInChI=1S/C15H20N2O2/c1-11-10-19-12(2)9-17(11)15(18)8-5-13-3-6-14(16)7-4-13/h3-8,11-12H,9-10,16H2,1-2H3/b8-5+
InChIKeyJDKCVLIMYPTOBH-VMPITWQZSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds2

About (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one

(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 115342884) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
PubChem CID115342884
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2ccc(N)cc2)C(C)CO1
InChIInChI=1S/C15H20N2O2/c1-11-10-19-12(2)9-17(11)15(18)8-5-13-3-6-14(16)7-4-13/h3-8,11-12H,9-10,16H2,1-2H3/b8-5+
InChIKeyJDKCVLIMYPTOBH-VMPITWQZSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-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-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one (CID 115342884) is (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one is CC1CN(C(=O)/C=C/c2ccc(N)cc2)C(C)CO1.
What is the InChIKey of (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is JDKCVLIMYPTOBH-VMPITWQZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-19-12(2)9-17(11)15(18)8-5-13-3-6-14(16)7-4-13/h3-8,11-12H,9-10,16H2,1-2H3/b8-5+.
What are the key properties of (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
(E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-1-(2,5-dimethylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 115342884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).