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1315367-67-9 | 1-(pyrrolidin-1-yl)-3-(1,2,3,4-tetrahydroquinolin-4-yl)propan-1-one
CAS No: 1315367-67-9 Catalog No: AG01AJJ6 MDL No:MFCD19382314
Product Description
Catalog Number:
AG01AJJ6
Chemical Name:
1-(pyrrolidin-1-yl)-3-(1,2,3,4-tetrahydroquinolin-4-yl)propan-1-one
CAS Number:
1315367-67-9
Molecular Formula:
C16H22N2O
Molecular Weight:
258.3587
MDL Number:
MFCD19382314
IUPAC Name:
1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroquinolin-4-yl)propan-1-one
InChI:
InChI=1S/C16H22N2O/c19-16(18-11-3-4-12-18)8-7-13-9-10-17-15-6-2-1-5-14(13)15/h1-2,5-6,13,17H,3-4,7-12H2
InChI Key:
PPYCMTYHILIXSN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CCC1CCNc2c1cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.365g/mol
Monoisotopic Mass:
258.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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