CID 40553544
PubChem CID
40553544
Structure
Molecular Formula
Status
Non-live
Molecular Weight
203.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S)-1-(2,3-dihydroindol-1-yl)-2-methylbutan-1-one
InChI=1S/C13H17NO/c1-3-10(2)13(15)14-9-8-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
BFCOYJRKVRCWMC-JTQLQIEISA-N
CC[C@H](C)C(=O)N1CCC2=CC=CC=C21
C13H17NO
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
203.28 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
203.131014166 g/mol
Property Name
Monoisotopic Mass
Property Value
203.131014166 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.3 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
239
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
CONTENTS