(5S)-1-benzyl-5-methylpyrrolidin-3-one


Chemical Name: (5S)-1-benzyl-5-methylpyrrolidin-3-one
CAS Number: 23770-07-2
Product Number: AG00BIS5(AGN-PC-00G7IE)
Synonyms:
MDL No:
Molecular Formula: C12H15NO
Molecular Weight: 189.2536

Identification/Properties


Computed Properties
Molecular Weight:
189.258g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
189.115g/mol
Monoisotopic Mass:
189.115g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
208
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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