2-(Pyrrolidin-1-ylmethyl)cyclohexanone
TL;DR: 2-(Pyrrolidin-1-ylmethyl)cyclohexanone (CAS 82087-52-3) is a chemical compound with molecular formula C11H19NO and molecular weight 181.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrrolidin-1-ylmethyl)cyclohexan-1-one
Also Known As: 2-(pyrrolidin-1-ylmethyl)cyclohexanone, 2-[Pyrrolizinomethyl]cyclohexanone, 2-pyrrolidin-1-ylmethyl-cyclohexanone, 2-(pyrrolidin-1-ylmethyl)cyclohexan-1-one, NCI60_019484
| Molecular Formula | C11H19NO |
|---|---|
| Molecular Weight | 181.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.14667 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 82087-52-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)CN2CCCC2 |
| InChIKey | PXMBMJRXFBLNMO-UHFFFAOYSA-N |
Product Overview
2-(Pyrrolidin-1-ylmethyl)cyclohexanone (CAS 82087-52-3), with molecular formula C11H19NO and molecular weight 181.15 g/mol. IUPAC: 2-(pyrrolidin-1-ylmethyl)cyclohexan-1-one.
Chemical Property Profile of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone
Property Insights of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyrrolidin-1-ylmethyl)cyclohexanone. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(Pyrrolidin-1-ylmethyl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidin-1-ylmethyl)cyclohexanone 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 2-(Pyrrolidin-1-ylmethyl)cyclohexanone?
The CAS number of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone is 82087-52-3.
What is the molecular formula of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone?
The molecular formula of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone is C11H19NO.
What is the molecular weight of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone?
The molecular weight of 2-(Pyrrolidin-1-ylmethyl)cyclohexanone is 181.15 g/mol.
Where can I buy 2-(Pyrrolidin-1-ylmethyl)cyclohexanone?
You can request a quote for 2-(Pyrrolidin-1-ylmethyl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrolidin-1-ylmethyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidin-1-ylmethyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.