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1162665-55-5 | 1H-Pyrrole-3-carbonitrile, 1-(3,3-dimethylbutyl)-5-(1,1-dimethylethyl)-2,5-dihydro-4-hydroxy-2-oxo-, (5S)-
CAS No: 1162665-55-5 Catalog No: AG000C2I MDL No:
Product Description
Catalog Number:
AG000C2I
Chemical Name:
1H-Pyrrole-3-carbonitrile, 1-(3,3-dimethylbutyl)-5-(1,1-dimethylethyl)-2,5-dihydro-4-hydroxy-2-oxo-, (5S)-
CAS Number:
1162665-55-5
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
IUPAC Name:
(2S)-2-tert-butyl-1-(3,3-dimethylbutyl)-3-hydroxy-5-oxo-2H-pyrrole-4-carbonitrile
InChI:
InChI=1S/C15H24N2O2/c1-14(2,3)7-8-17-12(15(4,5)6)11(18)10(9-16)13(17)19/h12,18H,7-8H2,1-6H3/t12-/m1/s1
InChI Key:
BGLDRUCDIWZWLO-GFCCVEGCSA-N
SMILES:
N#CC1=C(O)[C@@H](N(C1=O)CCC(C)(C)C)C(C)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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