3-Oxo-N-2-propen-1-ylbutanamide
TL;DR: 3-Oxo-N-2-propen-1-ylbutanamide (CAS 41153-95-1) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-prop-2-enylbutanamide
Also Known As: N-Allyl-3-oxobutanamide, Acetoacetic allylamide, N-Allyl-3-oxobutanamide #, 3-Oxo-N-2-propen-1-ylbutanamide, 3-oxo-N-prop-2-enylbutanamide
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 41153-95-1 |
|---|---|
| SMILES | CC(=O)CC(=O)NCC=C |
| InChIKey | GSZJKHTZJCSFBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxo-N-2-propen-1-ylbutanamide (CAS 41153-95-1), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 3-oxo-N-prop-2-enylbutanamide.
Chemical Property Profile of 3-Oxo-N-2-propen-1-ylbutanamide
Property Insights of 3-Oxo-N-2-propen-1-ylbutanamide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-N-2-propen-1-ylbutanamide. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Oxo-N-2-propen-1-ylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-N-2-propen-1-ylbutanamide has 1 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-Oxo-N-2-propen-1-ylbutanamide?
The CAS number of 3-Oxo-N-2-propen-1-ylbutanamide is 41153-95-1.
What is the molecular formula of 3-Oxo-N-2-propen-1-ylbutanamide?
The molecular formula of 3-Oxo-N-2-propen-1-ylbutanamide is C7H11NO2.
What is the molecular weight of 3-Oxo-N-2-propen-1-ylbutanamide?
The molecular weight of 3-Oxo-N-2-propen-1-ylbutanamide is 141.08 g/mol.
Where can I buy 3-Oxo-N-2-propen-1-ylbutanamide?
You can request a quote for 3-Oxo-N-2-propen-1-ylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-N-2-propen-1-ylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-N-2-propen-1-ylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.