3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one
TL;DR: 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one (CAS 29846-83-1) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one
Also Known As: 1-(3,3-Dimethylbutanoyl)pyrrolidine, 3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one, 1-(3,3-Dimethylbutanoyl)pyrrolidine #, 3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one, 3,3-Dimethyl-1-pyrrolidin-1-yl-butan-1-one
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 29846-83-1 |
|---|---|
| SMILES | CC(C)(C)CC(=O)N1CCCC1 |
| InChIKey | RIPLUUVSBPGPMS-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one (CAS 29846-83-1), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one.
Chemical Property Profile of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one
Property Insights of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-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 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one?
The CAS number of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one is 29846-83-1.
What is the molecular formula of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one?
The molecular formula of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one is C10H19NO.
What is the molecular weight of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one?
The molecular weight of 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one is 169.15 g/mol.
Where can I buy 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one?
You can request a quote for 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.