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243467-95-0 | 1-(5-Nitro-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CAS No: 243467-95-0 Catalog No: AG01EULD MDL No:
Product Description
Catalog Number:
AG01EULD
Chemical Name:
1-(5-Nitro-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CAS Number:
243467-95-0
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
1-(5-nitro-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C16H21N3O3/c1-2-5-11-10-14(18-9-4-8-15(18)20)16-12(17-11)6-3-7-13(16)19(21)22/h3,6-7,11,14,17H,2,4-5,8-10H2,1H3
InChI Key:
ZASXGMLSSVULBX-UHFFFAOYSA-N
SMILES:
CCCC1Nc2cccc(c2C(C1)N1CCCC1=O)[N+](=O)[O-]
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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