Octahydropyrrolo(1,2-a)piperazin-1-one
TL;DR: Octahydropyrrolo(1,2-a)piperazin-1-one (CAS 100501-54-0) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Also Known As: hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one, Hexahydro-pyrrolo[1,2-a]pyrazin-1-one, octahydropyrrolo[1,2-a]piperazin-1-one, OCTAHYDROPYRROLO[1,2-A]PYRAZIN-1-ONE, PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE, HEXAHYDRO-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.09496 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | C1CC2C(=O)NCCN2C1 |
| InChIKey | JBIHMFNMKHDTEE-UHFFFAOYSA-N |
Chemical Property Profile of Octahydropyrrolo(1,2-a)piperazin-1-one
Property Insights of Octahydropyrrolo(1,2-a)piperazin-1-one
The XLogP value of -0.1 indicates that Octahydropyrrolo(1,2-a)piperazin-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.3 Ų, Octahydropyrrolo(1,2-a)piperazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydropyrrolo(1,2-a)piperazin-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octahydropyrrolo(1,2-a)piperazin-1-one?
The CAS number of Octahydropyrrolo(1,2-a)piperazin-1-one is 100501-54-0.
What is the molecular formula of Octahydropyrrolo(1,2-a)piperazin-1-one?
The molecular formula of Octahydropyrrolo(1,2-a)piperazin-1-one is C7H12N2O.
What is the molecular weight of Octahydropyrrolo(1,2-a)piperazin-1-one?
The molecular weight of Octahydropyrrolo(1,2-a)piperazin-1-one is 140.09496 g/mol.
Where can I buy Octahydropyrrolo(1,2-a)piperazin-1-one?
You can request a quote for Octahydropyrrolo(1,2-a)piperazin-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octahydropyrrolo(1,2-a)piperazin-1-one?
Yes, CoreyChem provides custom synthesis services for Octahydropyrrolo(1,2-a)piperazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.