An official website of the United States government

CID 42148350

PubChem CID
42148350
Structure
CID 42148350_small.png
Molecular Formula
Status
Non-live
Molecular Weight
155.22 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 42148350.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-N-prop-2-enylpyrrolidin-1-ium-2-carboxamide

2.1.2 InChI

InChI=1S/C8H14N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h2,7,9H,1,3-6H2,(H,10,11)/p+1/t7-/m0/s1

2.1.3 InChIKey

GZISHWNZSCLKLM-ZETCQYMHSA-O

2.1.4 SMILES

C=CCNC(=O)[C@@H]1CCC[NH2+]1

2.2 Molecular Formula

C8H15N2O+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
155.22 g/mol
Property Name
XLogP3
Property Value
0.2
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
155.118438106 g/mol
Property Name
Monoisotopic Mass
Property Value
155.118438106 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.7 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
156
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