An official website of the United States government

CID 62483748

PubChem CID
62483748
Structure
CID 62483748_small.png
Molecular Formula
Status
Non-live
Molecular Weight
155.20 g/mol
Dates
  • Create:
    2012-10-22

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 62483748.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N'-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboximidamide

2.1.2 InChI

InChI=1S/C7H13N3O/c8-7(9-11)10-4-5-1-2-6(10)3-5/h5-6,11H,1-4H2,(H2,8,9)

2.1.3 InChIKey

IVGCDGULYUBPTA-UHFFFAOYSA-N

2.1.4 SMILES

C1CC2CC1CN2/C(=N\O)/N

2.2 Molecular Formula

C7H13N3O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
155.20 g/mol
Property Name
XLogP3-AA
Property Value
0.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
155.105862047 g/mol
Property Name
Monoisotopic Mass
Property Value
155.105862047 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.9 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
192
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
1
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