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18630-99-4 | 3-(pyrrolidin-1-yl)-1,2-dihydroisoquinolin-1-one
CAS No: 18630-99-4 Catalog No: AG019LFA MDL No:MFCD03492125
Product Description
Catalog Number:
AG019LFA
Chemical Name:
3-(pyrrolidin-1-yl)-1,2-dihydroisoquinolin-1-one
CAS Number:
18630-99-4
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD03492125
IUPAC Name:
3-pyrrolidin-1-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H14N2O/c16-13-11-6-2-1-5-10(11)9-12(14-13)15-7-3-4-8-15/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)
InChI Key:
YGHVWKFNYLLGEJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(cc2c1cccc2)N1CCCC1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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