CID 42076590
PubChem CID
42076590
Structure
Molecular Formula
Status
Non-live
Molecular Weight
190.26 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(4-methylphenyl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone
InChI=1S/C12H15NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h4-7,11,13H,2-3,8H2,1H3/p+1/t11-/m0/s1
BDWVFNDMKOTVLC-NSHDSACASA-O
CC1=CC=C(C=C1)C(=O)[C@@H]2CCC[NH2+]2
C12H16NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
190.26 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
190.123189134 g/mol
Property Name
Monoisotopic Mass
Property Value
190.123189134 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.7 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
206
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
CONTENTS