COMPUTED DESCRIPTORS
Molecular Weight | 192.21 g/mol |
---|---|
XLogP3 | -0.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Exact Mass | 192.089877630 g/mol |
Monoisotopic Mass | 192.089877630 g/mol |
Topological Polar Surface Area | 53.4 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 232 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trans-3-hydroxycotinine is an N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer). It is a N-alkylpyrrolidine, a member of pyridines, a pyrrolidine alkaloid and a member of pyrrolidin-2-ones. It is functionally related to a (-)-cotinine.