3-Penten-2-one,4-(1-pyrrolidinyl)-
TL;DR: 3-Penten-2-one,4-(1-pyrrolidinyl)- (CAS 3389-57-9) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylpent-3-en-2-one
Also Known As: NCIOpen2_002221, 3-Penten-2-one,4-(1-pyrrolidinyl)-, 4-pyrrolidin-1-ylpent-3-en-2-one, 3-Penten-2-one, 4-(1-pyrrolidinyl)-, 4-(N-pyrrolidinyl)pent-3-en-2-one
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 3389-57-9 |
|---|---|
| SMILES | CC(=CC(=O)C)N1CCCC1 |
| InChIKey | CWUMGRRVCLAYKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Penten-2-one,4-(1-pyrrolidinyl)- (CAS 3389-57-9), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 4-pyrrolidin-1-ylpent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one,4-(1-pyrrolidinyl)-
Property Insights of 3-Penten-2-one,4-(1-pyrrolidinyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Penten-2-one,4-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Penten-2-one,4-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one,4-(1-pyrrolidinyl)- 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-Penten-2-one,4-(1-pyrrolidinyl)-?
The CAS number of 3-Penten-2-one,4-(1-pyrrolidinyl)- is 3389-57-9.
What is the molecular formula of 3-Penten-2-one,4-(1-pyrrolidinyl)-?
The molecular formula of 3-Penten-2-one,4-(1-pyrrolidinyl)- is C9H15NO.
What is the molecular weight of 3-Penten-2-one,4-(1-pyrrolidinyl)-?
The molecular weight of 3-Penten-2-one,4-(1-pyrrolidinyl)- is 153.12 g/mol.
Where can I buy 3-Penten-2-one,4-(1-pyrrolidinyl)-?
You can request a quote for 3-Penten-2-one,4-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one,4-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one,4-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.