CID 28337052
PubChem CID
28337052
Structure
Molecular Formula
Status
Non-live
Molecular Weight
258.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-oxo-4-(1-prop-2-enyl-2,3-dihydroindol-5-yl)butanoate
InChI=1S/C15H17NO3/c1-2-8-16-9-7-11-10-12(3-4-13(11)16)14(17)5-6-15(18)19/h2-4,10H,1,5-9H2,(H,18,19)/p-1
OROOBSXWVPXWLM-UHFFFAOYSA-M
C=CCN1CCC2=C1C=CC(=C2)C(=O)CCC(=O)[O-]
C15H16NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.29 g/mol
Property Name
XLogP3-AA
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
258.11301837 g/mol
Property Name
Monoisotopic Mass
Property Value
258.11301837 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
361
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
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