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Home Other Building Blocks 2-Pyrrolidinone, 1-(4-methoxyphenyl)-

2-Pyrrolidinone, 1-(4-methoxyphenyl)-

CAS No.:
30425-47-9
Catalog Number:
AG00302E
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG00302E
Chemical Name:
2-Pyrrolidinone, 1-(4-methoxyphenyl)-
CAS Number:
30425-47-9
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00138488
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
InChI Key:
IDJCCRRYIMWLSQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCCC1=O
EC Number:
250-191-1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Properties