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CID 51776810

PubChem CID
51776810
Structure
CID 51776810_small.png
Molecular Formula
Status
Non-live
Molecular Weight
211.30 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51776810.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-one

2.1.2 InChI

InChI=1S/C12H21NO2/c1-9-7-13(8-10(2)15-9)11-3-5-12(14)6-4-11/h9-11H,3-8H2,1-2H3/t9-,10-/m0/s1

2.1.3 InChIKey

RRJKRACMYODCBJ-UWVGGRQHSA-N

2.1.4 SMILES

C[C@H]1CN(C[C@@H](O1)C)C2CCC(=O)CC2

2.2 Molecular Formula

C12H21NO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
211.30 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
211.157228913 g/mol
Property Name
Monoisotopic Mass
Property Value
211.157228913 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.5 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
222
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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