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CID 30119359

PubChem CID
30119359
Structure
CID 30119359_small.png
Molecular Formula
Status
Non-live
Molecular Weight
152.21 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 30119359.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclopropyl-[(1S)-1-(furan-2-yl)ethyl]azanium

2.1.2 InChI

InChI=1S/C9H13NO/c1-7(10-8-4-5-8)9-3-2-6-11-9/h2-3,6-8,10H,4-5H2,1H3/p+1/t7-/m0/s1

2.1.3 InChIKey

KKEABNOYKSGCRM-ZETCQYMHSA-O

2.1.4 SMILES

C[C@@H](C1=CC=CO1)[NH2+]C2CC2

2.2 Molecular Formula

C9H14NO+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
152.21 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
3
Property Name
Exact Mass
Property Value
152.107539070 g/mol
Property Name
Monoisotopic Mass
Property Value
152.107539070 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.8 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
134
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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