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CID 47443340

PubChem CID
47443340
Structure
CID 47443340_small.png
Molecular Formula
Status
Non-live
Molecular Weight
249.35 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47443340.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(1-adamantyl)oxolane-3-carboxamide

2.1.2 InChI

InChI=1S/C15H23NO2/c17-14(13-1-2-18-9-13)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H,16,17)

2.1.3 InChIKey

ADBCXAZQWZOACP-UHFFFAOYSA-N

2.1.4 SMILES

C1COCC1C(=O)NC23CC4CC(C2)CC(C4)C3

2.2 Molecular Formula

C15H23NO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
249.35 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
249.172878976 g/mol
Property Name
Monoisotopic Mass
Property Value
249.172878976 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
324
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
1
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