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680223-29-4 | 1(2H)-Isoquinolinone, 3-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethyl]-5-methyl-
CAS No: 680223-29-4 Catalog No: AG006GVA MDL No:
Product Description
Catalog Number:
AG006GVA
Chemical Name:
1(2H)-Isoquinolinone, 3-[2-[(3R)-3-hydroxy-1-pyrrolidinyl]ethyl]-5-methyl-
CAS Number:
680223-29-4
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H20N2O2/c1-11-3-2-4-14-15(11)9-12(17-16(14)20)5-7-18-8-6-13(19)10-18/h2-4,9,13,19H,5-8,10H2,1H3,(H,17,20)/t13-/m1/s1
InChI Key:
LIENERAPGZENEN-CYBMUJFWSA-N
SMILES:
O[C@@H]1CCN(C1)CCc1cc2c(C)cccc2c(=O)[nH]1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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