CID 47190738
PubChem CID
47190738
Structure
Molecular Formula
Status
Non-live
Molecular Weight
256.34 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-butyl-N-cyclopropyl-1H-indole-6-carboxamide
InChI=1S/C16H20N2O/c1-2-3-10-18(14-6-7-14)16(19)13-5-4-12-8-9-17-15(12)11-13/h4-5,8-9,11,14,17H,2-3,6-7,10H2,1H3
WSNQOLINDWEQLY-UHFFFAOYSA-N
CCCCN(C1CC1)C(=O)C2=CC3=C(C=C2)C=CN3
C16H20N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.34 g/mol
Property Name
XLogP3-AA
Property Value
3.3
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
5
Property Name
Exact Mass
Property Value
256.157563266 g/mol
Property Name
Monoisotopic Mass
Property Value
256.157563266 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
327
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
Old substance
Old substance
Old substance
Old substance
CONTENTS