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833453-91-1 | 4(1H)-Quinolinone, 2,3-dihydro-1-methyl-2-pentyl-, (2S)-
CAS No: 833453-91-1 Catalog No: AG008I8K MDL No:
Product Description
Catalog Number:
AG008I8K
Chemical Name:
4(1H)-Quinolinone, 2,3-dihydro-1-methyl-2-pentyl-, (2S)-
CAS Number:
833453-91-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(2S)-1-methyl-2-pentyl-2,3-dihydroquinolin-4-one
InChI:
InChI=1S/C15H21NO/c1-3-4-5-8-12-11-15(17)13-9-6-7-10-14(13)16(12)2/h6-7,9-10,12H,3-5,8,11H2,1-2H3/t12-/m0/s1
InChI Key:
DWZGROFWSUTSMG-LBPRGKRZSA-N
SMILES:
CCCCC[C@H]1CC(=O)c2c(N1C)cccc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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