TL;DR: 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)- (CAS 159212-47-2) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-(dimethylaminomethylidene)-5-nitro-1H-indol-2-one
Also Known As: 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)-, 1,3-Dihydro-3-((dimethylamino)methylene)-5-nitro-2H-indol-2-one (Z)-, (3Z)-3-(dimethylaminomethylidene)-5-nitro-1H-indol-2-one
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.08005 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.08005 Da |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
| SMILES | CN(C)/C=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O |
| InChIKey | JKRFBGUETREWIP-TWGQIWQCSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)-. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)-. Following Lipinski's Rule of Five, 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)- is 159212-47-2.
The molecular formula of 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)- is C11H11N3O3.
The molecular weight of 2H-Indol-2-one, 1,3-dihydro-3-((dimethylamino)methylene)-5-nitro-, (Z)- is 233.08005 g/mol.
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