TL;DR: Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- (CAS 113417-34-8) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione
Also Known As: BAS 00329645, Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl-, 5,5-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione, 5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,5-Dimethyl-5,6-dihydro-pyrrolo[2,1-a]isoquinoline-2,3-dione
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.09464 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.09464 Da |
| Heavy Atoms | 17 |
| Complexity | 422.0 |
| SMILES | CC1(CC2=CC=CC=C2C3=CC(=O)C(=O)N31)C |
| InChIKey | OLXYPWURGPMTCH-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl-. With a topological polar surface area (TPSA) of 37.4 Ų, Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- is 113417-34-8.
The molecular formula of Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- is C14H13NO2.
The molecular weight of Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-5,5-dimethyl- is 227.09464 g/mol.
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