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89042-31-9

89042-31-9 | 2,5-Pyrrolidinedione, 1-[2-(3,4-dihydro-7-methyl-1-isoquinolinyl)ethyl]-

CAS No: 89042-31-9 Catalog No: AG0043BF MDL No:

Product Description

Catalog Number:
AG0043BF
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(3,4-dihydro-7-methyl-1-isoquinolinyl)ethyl]-
CAS Number:
89042-31-9
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
1-[2-(7-methyl-3,4-dihydroisoquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C16H18N2O2/c1-11-2-3-12-6-8-17-14(13(12)10-11)7-9-18-15(19)4-5-16(18)20/h2-3,10H,4-9H2,1H3
InChI Key:
GKQXFZGQXHAVGE-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CCC1=NCCc2c1cc(C)cc2

Properties

Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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