The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1-(4-METHOXY-PHENYL)-PYRROLIDIN-2-ONE , CAS No.30425-47-9
Basic Description
Synonyms
1-(4-Methoxyphenyl)pyrrolidin-2-one | 30425-47-9 | 1-(4-methoxyphenyl)-2-pyrrolidinone | 2-Pyrrolidinone, 1-(4-methoxyphenyl)- | EINECS 250-191-1 | Bionet2_000141 | SCHEMBL609306 | CHEMBL1649591 | DTXSID20184513 | IDJCCRRYIMWLSQ-UHFFFAOYSA-N | HMS1364G09 | MFCD00138488 | N-(4-me
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - 2-pyrrolidone - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(4-methoxyphenyl)pyrrolidin-2-one
INCHI
InChI=1S/C11H13NO2/c1-14-10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
IDJCCRRYIMWLSQ-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)N2CCCC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2CCCC2=O
Molecular Weight
191.232
Reaxy-Rn
169972
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=169972&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.230 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
191.095 Da
Monoisotopic Mass
191.095 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
209.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
