2-methyl-3-pyrrolizidone
TL;DR: 2-methyl-3-pyrrolizidone (CAS 86954-03-2) 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.
2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
Also Known As: 2-methyl-3-pyrrolizidone, 2-Methylhexahydro-3H-pyrrolizin-3-one, 2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one, 2-methyl-hexahydro-1H-pyrrolizin-3-one, 2-Methylhexahydro-1H-pyrrolizine-3-one
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 1.0172 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 166.64053 |
Chemical Identifiers
| CAS Number | 86954-03-2 |
|---|---|
| SMILES | CC1CC2CCCN2C1=O |
Product Overview
2-methyl-3-pyrrolizidone (CAS 86954-03-2), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
Chemical Property Profile of 2-methyl-3-pyrrolizidone
Property Insights of 2-methyl-3-pyrrolizidone
The XLogP value of 1.0172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-pyrrolizidone. With a topological polar surface area (TPSA) of 20.31 Ų, 2-methyl-3-pyrrolizidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-pyrrolizidone 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 2-methyl-3-pyrrolizidone?
The CAS number of 2-methyl-3-pyrrolizidone is 86954-03-2.
What is the molecular formula of 2-methyl-3-pyrrolizidone?
The molecular formula of 2-methyl-3-pyrrolizidone is C8H13NO.
What is the molecular weight of 2-methyl-3-pyrrolizidone?
The molecular weight of 2-methyl-3-pyrrolizidone is 139.10 g/mol.
Where can I buy 2-methyl-3-pyrrolizidone?
You can request a quote for 2-methyl-3-pyrrolizidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-pyrrolizidone?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-pyrrolizidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.