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CID 47190738

PubChem CID
47190738
Structure
CID 47190738_small.png
Molecular Formula
Status
Non-live
Molecular Weight
256.34 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47190738.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-butyl-N-cyclopropyl-1H-indole-6-carboxamide

2.1.2 InChI

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

2.1.3 InChIKey

WSNQOLINDWEQLY-UHFFFAOYSA-N

2.1.4 SMILES

CCCCN(C1CC1)C(=O)C2=CC3=C(C=C2)C=CN3

2.2 Molecular Formula

C16H20N2O

3 Chemical and Physical Properties

3.1 Computed Properties

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

5 Information Sources

CONTENTS