5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole
TL;DR: 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole (CAS 1166756-97-3) is a chemical compound with molecular formula C13H17N and molecular weight 187.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3,3-dimethyl-2,4-dihydropyrrole
Also Known As: 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole, 5-benzyl-3,3-dimethyl-2,4-dihydropyrrole, 2-benzyl-4,4-dimethyl-1-pyrroline, 5-BENZYL-3,4-DIHYDRO-3,3-DIMETHYL-2H-PYRROLE, 2724AA
Technical Specifications
| Molecular Formula | C13H17N |
| Molecular Weight | 187.1361 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.1361 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CC1(CC(=NC1)CC2=CC=CC=C2)C |
| InChIKey | IDLOIKCKXBJPPI-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole
Property Insights of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole. With a topological polar surface area (TPSA) of 12.4 Ų, 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole?
The CAS number of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole is 1166756-97-3.
What is the molecular formula of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole?
The molecular formula of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole is C13H17N.
What is the molecular weight of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole?
The molecular weight of 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole is 187.1361 g/mol.
Where can I buy 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole?
You can request a quote for 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole?
Yes, CoreyChem provides custom synthesis services for 5-Benzyl-3,3-dimethyl-3,4-dihydro-2H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.