1-[(4-Methoxyphenyl)methyl]pyrrolidin-2-one - CAS 60737-65-7

Catalog:	BB060279
Product Name:	1-[(4-Methoxyphenyl)methyl]pyrrolidin-2-one
CAS:	60737-65-7
Synonyms:	1-[(4-Methoxyphenyl)methyl]-2-pyrrolidinone; 1-(4-Methoxybenzyl)-2-pyrrolidinone; 1-(4-Methoxybenzyl)pyrrolidin-2-one

Technical Data

IUPAC Name:	1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
Description:	1-[(4-Methoxyphenyl)methyl]pyrrolidin-2-one is a pyrrolidine derivatives with pharmaceutical application.
Molecular Weight:	205.25
Molecular Formula:	C12H15NO2
Canonical SMILES:	COC1=CC=C(C=C1)CN2CCCC2=O
InChI:	InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)9-13-8-2-3-12(13)14/h4-7H,2-3,8-9H2,1H3
InChI Key:	JFXXBYZUNOVBOQ-UHFFFAOYSA-N
References:	Rezai, M., et al. Turkish J. Chem., 42, 808 (2018); Kyburz, E., et al. From Eur. Pat. Appl. (1979), EP 3602 A1 19790822.

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.110278721
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2