1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one
TL;DR: 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one (CAS 88855-24-7) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylpenta-3,4-dien-1-one
Also Known As: 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one, 1-pyrrolidin-1-ylpenta-3,4-dien-1-one, RefChem:227110
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 88855-24-7 |
|---|---|
| SMILES | C=C=CCC(=O)N1CCCC1 |
| InChIKey | WREPYVNKKYIQER-UHFFFAOYSA-N |
Product Overview
1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one (CAS 88855-24-7), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 1-pyrrolidin-1-ylpenta-3,4-dien-1-one.
Chemical Property Profile of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one
Property Insights of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one 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 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one?
The CAS number of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one is 88855-24-7.
What is the molecular formula of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one?
The molecular formula of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one is C9H13NO.
What is the molecular weight of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one?
The molecular weight of 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one is 151.10 g/mol.
Where can I buy 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one?
You can request a quote for 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyrrolidin-1-yl)penta-3,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.