CID 45147463
PubChem CID
45147463
Structure
Molecular Formula
Status
Non-live
Molecular Weight
258.36 g/mol
Dates
- Create:2010-04-27
Chemical Structure Depiction
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-one
InChI=1S/C16H22N2O/c19-16(9-8-14-5-2-1-3-6-14)18-12-11-17-10-4-7-15(17)13-18/h1-3,5-6,15H,4,7-13H2
FFKPHTVWVJUJNF-UHFFFAOYSA-N
C1CC2CN(CCN2C1)C(=O)CCC3=CC=CC=C3
C16H22N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.36 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
258.173213330 g/mol
Property Name
Monoisotopic Mass
Property Value
258.173213330 g/mol
Property Name
Topological Polar Surface Area
Property Value
23.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
312
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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
Old substance
CONTENTS