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138276-83-2 | Ethanone, 1-[3,4-dihydro-7-(1-pyrrolidinyl)-2(1H)-isoquinolinyl]-
CAS No: 138276-83-2 Catalog No: AG0018FG MDL No:
Product Description
Catalog Number:
AG0018FG
Chemical Name:
Ethanone, 1-[3,4-dihydro-7-(1-pyrrolidinyl)-2(1H)-isoquinolinyl]-
CAS Number:
138276-83-2
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
1-(7-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C15H20N2O/c1-12(18)17-9-6-13-4-5-15(10-14(13)11-17)16-7-2-3-8-16/h4-5,10H,2-3,6-9,11H2,1H3
InChI Key:
QZLDOOUCJLGHEG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cc(cc2)N1CCCC1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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