Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08010002
Common Namepentanamide
Systematic Namepentanamide
Synonyms-
Exact Mass
101.0841 (neutral)    Calculate m/z:
FormulaC5H11NO
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
PubChem CID12298
KEGG IDC01842
CHEBI ID16459
InChIKeyIPWFJLQDVFKJDU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
SMILESNC(=O)CCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
112.21Topological Polar
Surface Area
43.09Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP0.66Molar
Refractivity
28.72