(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

C14H15Cl2NO2 — CID 47135151

IUPAC(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C14H15Cl2NO2/c1-10-9-17(6-7-19-10)14(18)5-2-11-8-12(15)3-4-13(11)16/h2-5,8,10H,6-7,9H2,1H3/b5-2+
InChIKeyFGAICXKNUCRXDW-GORDUTHDSA-N
MW300.19 g/mol
LogP3.25
Rot. Bonds2

About (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 47135151) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
PubChem CID47135151
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
SMILESCC1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C14H15Cl2NO2/c1-10-9-17(6-7-19-10)14(18)5-2-11-8-12(15)3-4-13(11)16/h2-5,8,10H,6-7,9H2,1H3/b5-2+
InChIKeyFGAICXKNUCRXDW-GORDUTHDSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-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

Related Compounds

(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 113290787
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
3-(2,5-dichlorophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)prop-2-en-1-one
CID 77109439
(E)-3-(2,5-dichlorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 102784679
4-[3-(2,5-dichlorophenyl)prop-2-enoyl]-3-methylpiperazine-2,6-dione
CID 77111796
(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 77133316
3-[2-fluoro-4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76913957

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one (CID 47135151) is (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one is CC1CN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CCO1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is FGAICXKNUCRXDW-GORDUTHDSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-10-9-17(6-7-19-10)14(18)5-2-11-8-12(15)3-4-13(11)16/h2-5,8,10H,6-7,9H2,1H3/b5-2+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one?
(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 300.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 47135151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).