Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000034
Common Name4-penten-2-one
Systematic Name4-penten-2-one
Synonyms-
Exact Mass
84.0575 (neutral)    Calculate m/z:
FormulaC5H8O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID83797
HMDB IDHMDB0031606
InChIKeyPNJWIWWMYCMZRO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
SMILESCC(=O)CC=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
98.57Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP1.15Molar
Refractivity
25.50