N-methallylpyrrolidone
TL;DR: N-methallylpyrrolidone (CAS 52132-71-5) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylprop-2-enyl)pyrrolidin-2-one
Also Known As: N-methallylpyrrolidone, N-(2-Methyl-propenyl)-pyrrolidin-2-one, 1-(2-Methyl-2-propenyl)-2-pyrrolidone, 1-(2-methyl-2-propen-1-yl)pyrrolidin-2-one, 1-(2-Methyl-2-propenyl)-2-pyrrolidinone
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 52132-71-5 |
|---|---|
| SMILES | CC(=C)CN1CCCC1=O |
| InChIKey | FUNAOUOBENVAFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methallylpyrrolidone (CAS 52132-71-5), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 1-(2-methylprop-2-enyl)pyrrolidin-2-one.
Chemical Property Profile of N-methallylpyrrolidone
Property Insights of N-methallylpyrrolidone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methallylpyrrolidone. With a topological polar surface area (TPSA) of 20.3 Ų, N-methallylpyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methallylpyrrolidone 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 N-methallylpyrrolidone?
The CAS number of N-methallylpyrrolidone is 52132-71-5.
What is the molecular formula of N-methallylpyrrolidone?
The molecular formula of N-methallylpyrrolidone is C8H13NO.
What is the molecular weight of N-methallylpyrrolidone?
The molecular weight of N-methallylpyrrolidone is 139.10 g/mol.
Where can I buy N-methallylpyrrolidone?
You can request a quote for N-methallylpyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methallylpyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for N-methallylpyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.