3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one
TL;DR: 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one (CAS 89587-12-2) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylaminomethylidene)-1-phenylpyrrolidin-2-one
Also Known As: 2-Pyrrolidinone, 3-[(dimethylamino)methylene]-1-phenyl-, 3-(dimethylaminomethylidene)-1-phenylpyrrolidin-2-one, 1H-Pyrazole-4-ethanol,3,5-dimethyl-1-phenyl, 3-[(DIMETHYLAMINO)METHYLIDENE]-1-PHENYLPYRROLIDIN-2-ONE
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.8688 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 409.2006 |
Chemical Identifiers
| CAS Number | 89587-12-2 |
|---|---|
| SMILES | CN(C)C=C1CCN(C1=O)C2=CC=CC=C2 |
Product Overview
3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one (CAS 89587-12-2), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 3-(dimethylaminomethylidene)-1-phenylpyrrolidin-2-one.
Chemical Property Profile of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one
Property Insights of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one
The XLogP value of 1.8688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one. With a topological polar surface area (TPSA) of 23.55 Ų, 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one has 0 hydrogen bond donor(s) and 2 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 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one?
The CAS number of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one is 89587-12-2.
What is the molecular formula of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one?
The molecular formula of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one is C13H16N2O.
What is the molecular weight of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one?
The molecular weight of 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one is 216.13 g/mol.
Where can I buy 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one?
You can request a quote for 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylaminomethylidene)-1-phenylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.