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CID 47189706

PubChem CID
47189706
Structure
CID 47189706_small.png
Molecular Formula
Status
Non-live
Molecular Weight
242.32 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47189706.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-carboxamide

2.1.2 InChI

InChI=1S/C15H18N2O/c1-9-7-11(9)8-16-15(18)14-10(2)17-13-6-4-3-5-12(13)14/h3-6,9,11,17H,7-8H2,1-2H3,(H,16,18)

2.1.3 InChIKey

VGDMLWYRMUTDPX-UHFFFAOYSA-N

2.1.4 SMILES

CC1CC1CNC(=O)C2=C(NC3=CC=CC=C32)C

2.2 Molecular Formula

C15H18N2O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
242.32 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
242.141913202 g/mol
Property Name
Monoisotopic Mass
Property Value
242.141913202 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.9 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
330
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
2
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