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1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one
TL;DR: 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one (CAS 141236-49-9) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one
Also Known As: 1-Cinnamoylpyrrolidine-2-one, 1-Cinnamoylpyrrolidin-2-one, 1-trans-Cinnamoylpyrrolidine-2-one, 1-[(E)-Cinnamoyl]pyrrolidine-2-one, 1-(3-Phenylacryloyl)pyrrolidine-2-one
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 141236-49-9 |
|---|---|
| SMILES | C1CC(=O)N(C1)C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | NFZJMRAKWPGACP-CMDGGOBGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one (CAS 141236-49-9), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one.
Chemical Property Profile of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one
Property Insights of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 37.4 Ų, 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-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 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one?
The CAS number of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one is 141236-49-9.
What is the molecular formula of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one?
The molecular formula of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one is C13H13NO2.
What is the molecular weight of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one?
The molecular weight of 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one is 215.09 g/mol.
Where can I buy 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one?
You can request a quote for 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2E)-3-Phenylprop-2-enoyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.