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70241-08-6 | 2,5-Pyrrolidinedione, 1-[2-(3,4-dihydro-1-isoquinolinyl)ethyl]-
CAS No: 70241-08-6 Catalog No: AG005WPB MDL No:
Product Description
Catalog Number:
AG005WPB
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(3,4-dihydro-1-isoquinolinyl)ethyl]-
CAS Number:
70241-08-6
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
1-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C15H16N2O2/c18-14-5-6-15(19)17(14)10-8-13-12-4-2-1-3-11(12)7-9-16-13/h1-4H,5-10H2
InChI Key:
STRMUMWDCFPJNO-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CCC1=NCCc2c1cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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