TL;DR: 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- (CAS 126101-06-2) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(hydroxymethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
Also Known As: Dihydro-3-(hydroxymethyl)-1H-pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)-, 3-(hydroxymethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione, 3-(hydroxymethyl)dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-dione, 2-Hydroxy-3-(hydroxymethyl)-3,6,7,7a-tetrahydro-5H-pyrrolo[1,2-a]imidazol-5-one
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.06914 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.06914 Da |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
| SMILES | C1CC(=O)N2C1NC(=O)C2CO |
| InChIKey | AAHIVNMKDZHIJZ-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)-. Following Lipinski's Rule of Five, 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- is 126101-06-2.
The molecular formula of 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- is C7H10N2O3.
The molecular weight of 1H-Pyrrolo(1,2-a)imidazole-2,5(3H,6H)-dione, dihydro-3-(hydroxymethyl)- is 170.06914 g/mol.
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