AC1O3DPM
methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxyphen yl)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(2-(4-(allyloxy)phenyl)-1-(3-(dimethylamino)propyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(Z)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C27H33N3O6 |
|---|---|
| Molecular Weight | 495.23694 g/mol |
| LogP | 3.35634 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.23694 |
| Monoisotopic Mass | 495.23694 |
| Heavy Atoms | 36 |
| Complexity | 1192.8363 |
Chemical Identifiers
| CAS Number | 623124-15-2 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)OCC=C)/O)C)C(=O)OC |
Product Overview
AC1O3DPM (CAS 623124-15-2), with molecular formula C27H33N3O6 and molecular weight 495.23694 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.