(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one

C19H25N3O2 — CID 25114539

IUPAC(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCN(C)CCc1c[nH]c2ccc(/C=C/C(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H25N3O2/c1-21(2)8-7-16-14-20-18-5-3-15(13-17(16)18)4-6-19(23)22-9-11-24-12-10-22/h3-6,13-14,20H,7-12H2,1-2H3/b6-4+
InChIKeyMHDWPCIEUSVWEN-GQCTYLIASA-N
MW327.43 g/mol
LogP2.14
Rot. Bonds5

About (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one

(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 25114539) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID25114539
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCN(C)CCc1c[nH]c2ccc(/C=C/C(=O)N3CCOCC3)cc12
InChIInChI=1S/C19H25N3O2/c1-21(2)8-7-16-14-20-18-5-3-15(13-17(16)18)4-6-19(23)22-9-11-24-12-10-22/h3-6,13-14,20H,7-12H2,1-2H3/b6-4+
InChIKeyMHDWPCIEUSVWEN-GQCTYLIASA-N
XLogP2.14
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-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

3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 69189057
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 90998248
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613819
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
N-[2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]ethyl]morpholine-4-carboxamide
CID 58614072
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one (CID 25114539) is (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one is CN(C)CCc1c[nH]c2ccc(/C=C/C(=O)N3CCOCC3)cc12.
What is the InChIKey of (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is MHDWPCIEUSVWEN-GQCTYLIASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(2)8-7-16-14-20-18-5-3-15(13-17(16)18)4-6-19(23)22-9-11-24-12-10-22/h3-6,13-14,20H,7-12H2,1-2H3/b6-4+.
What are the key properties of (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 25114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).