Pyrrolidine, 1-(2-methyl-1-propenyl)-
TL;DR: Pyrrolidine, 1-(2-methyl-1-propenyl)- (CAS 2403-57-8) is a chemical compound with molecular formula CC(=CN1CCCC1)C and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylprop-1-enyl)pyrrolidine
Also Known As: Pyrrolidine, 1-(2-methyl-1-propenyl)-, 1-(2-methylprop-1-enyl)pyrrolidine, 1-Pyrrolidinoisobutene, N-Isobutenylpyrrolidine, 1-Isobutenylpyrrolidine
| Molecular Formula | CC(=CN1CCCC1)C |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 2403-57-8 |
|---|---|
| SMILES | CC(=CN1CCCC1)C |
| InChIKey | PAXNHQZTZQFBPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrolidine, 1-(2-methyl-1-propenyl)- (CAS 2403-57-8), with molecular formula CC(=CN1CCCC1)C and molecular weight 125.12 g/mol. IUPAC: 1-(2-methylprop-1-enyl)pyrrolidine.
Chemical Property Profile of Pyrrolidine, 1-(2-methyl-1-propenyl)-
Property Insights of Pyrrolidine, 1-(2-methyl-1-propenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(2-methyl-1-propenyl)-. With a topological polar surface area (TPSA) of 3.2 Ų, Pyrrolidine, 1-(2-methyl-1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(2-methyl-1-propenyl)- 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
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(2-methyl-1-propenyl)-?
The CAS number of Pyrrolidine, 1-(2-methyl-1-propenyl)- is 2403-57-8.
What is the molecular formula of Pyrrolidine, 1-(2-methyl-1-propenyl)-?
The molecular formula of Pyrrolidine, 1-(2-methyl-1-propenyl)- is CC(=CN1CCCC1)C.
What is the molecular weight of Pyrrolidine, 1-(2-methyl-1-propenyl)-?
The molecular weight of Pyrrolidine, 1-(2-methyl-1-propenyl)- is 125.12 g/mol.
Where can I buy Pyrrolidine, 1-(2-methyl-1-propenyl)-?
You can request a quote for Pyrrolidine, 1-(2-methyl-1-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(2-methyl-1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(2-methyl-1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.