N-methyl-2-pyrrolidone
TL;DR: N-methyl-2-pyrrolidone (CAS 872-50-4) is a chemical compound with molecular formula C5H9NO and molecular weight 99.06841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylpyrrolidin-2-one
Also Known As: N-Methylpyrrolidone, 1-METHYL-2-PYRROLIDINONE, N-Methyl-2-pyrrolidone, 1-methylpyrrolidin-2-one, Methylpyrrolidone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.06841 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.06841 Da |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
| Purity | ≥99.7% |
| Melting Point | -9 °F (NTP, 1992) |
| Boiling Point | 396 °F at 760 mmHg (NTP, 1992) |
| Density | 1.03 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 204 °F (NTP, 1992) |
| Vapor Pressure | 0.34 [mmHg] |
| Refractive Index | MAX ABSORPTION (METHANOL): 205 NM (LOG E= 3.46); INDEX OF REFRACTION: 1.4684 AT 20 °C/D; SADTLER REFERENCE NUMBER: 6528 (IR, PRISM); 116 (VARIAN, NMR) |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CN1CCCC1=O |
| InChIKey | SECXISVLQFMRJM-UHFFFAOYSA-N |
Safety Information
H315, H319, H335, H360D
Chemical Property Profile of N-methyl-2-pyrrolidone
Property Insights of N-methyl-2-pyrrolidone
The XLogP value of -0.5 indicates that N-methyl-2-pyrrolidone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, N-methyl-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-2-pyrrolidone 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 N-methyl-2-pyrrolidone?
The CAS number of N-methyl-2-pyrrolidone is 872-50-4.
What is the molecular formula of N-methyl-2-pyrrolidone?
The molecular formula of N-methyl-2-pyrrolidone is C5H9NO.
What is the molecular weight of N-methyl-2-pyrrolidone?
The molecular weight of N-methyl-2-pyrrolidone is 99.06841 g/mol.
Where can I buy N-methyl-2-pyrrolidone?
You can request a quote for N-methyl-2-pyrrolidone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-2-pyrrolidone?
Yes, CoreyChem provides custom synthesis services for N-methyl-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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