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1258651-98-7 | 6-(2-methylbutan-2-yl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1258651-98-7 Catalog No: AG01AAY0 MDL No:MFCD16437744
Product Description
Catalog Number:
AG01AAY0
Chemical Name:
6-(2-methylbutan-2-yl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1258651-98-7
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
MDL Number:
MFCD16437744
IUPAC Name:
6-(2-methylbutan-2-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C15H20N2O/c1-4-15(2,3)12-5-6-13-10(8-12)7-11(9-16)14(18)17-13/h7,12H,4-6,8H2,1-3H3,(H,17,18)
InChI Key:
FWVFHRCRZXSAJN-UHFFFAOYSA-N
SMILES:
CCC(C1CCc2c(C1)cc(c(=O)[nH]2)C#N)(C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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