CID 34929965
PubChem CID
34929965
Structure
Molecular Formula
Status
Non-live
Molecular Weight
288.36 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2R)-1-[2-(4-cyanophenoxy)ethyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide
InChI=1S/C16H21N3O2/c1-18(2)16(20)15-4-3-9-19(15)10-11-21-14-7-5-13(12-17)6-8-14/h5-8,15H,3-4,9-11H2,1-2H3/p+1/t15-/m1/s1
JPCHGRPALJRVAE-OAHLLOKOSA-O
CN(C)C(=O)[C@H]1CCC[NH+]1CCOC2=CC=C(C=C2)C#N
C16H22N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
288.36 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
288.17120195 g/mol
Property Name
Monoisotopic Mass
Property Value
288.17120195 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.8 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
394
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS