AC1O2ONQ structure

AC1O2ONQ

ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: ethyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-2-[4-(methylethyl)phenyl]-5-ox o(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|ethyl 4-(1-(3-(dimethylamino)propyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS: 846580-07-2
Molecular Formula C28H37N3O5
Molecular Weight 495.27332 g/mol
LogP 4.30504
Topological Polar Surface Area 102.94 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 495.27332
Monoisotopic Mass 495.27332
Heavy Atoms 36
Complexity 1174.5372

Chemical Identifiers

CAS Number 846580-07-2
SMILES CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)C)/O)C

Product Overview

AC1O2ONQ (CAS 846580-07-2), with molecular formula C28H37N3O5 and molecular weight 495.27332 g/mol. IUPAC: ethyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-propan-2-ylphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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