1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-
TL;DR: 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- (CAS 92884-69-0) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
Also Known As: alpha-((Dimethylamino)methylene)-2-oxo-1-pyrrolidineacetonitrile, alpha-(Pyrrolid-2-on-1-yl)-beta-dimethylaminoacrylonitrile, 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-, (E)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile, RefChem:1057068
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 0.53538 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 275.07462 |
Chemical Identifiers
| CAS Number | 92884-69-0 |
|---|---|
| SMILES | CN(C)/C=C(\C#N)/N1CCCC1=O |
Product Overview
1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- (CAS 92884-69-0), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: (E)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile.
Chemical Property Profile of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-
Property Insights of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-
The XLogP value of 0.53538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-. With a topological polar surface area (TPSA) of 47.34 Ų, 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- has 0 hydrogen bond donor(s) and 3 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-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-?
The CAS number of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- is 92884-69-0.
What is the molecular formula of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-?
The molecular formula of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- is C9H13N3O.
What is the molecular weight of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-?
The molecular weight of 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- is 179.11 g/mol.
Where can I buy 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-?
You can request a quote for 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.