Structure database (LMSD)

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LM IDLMFA01140031
Common NameAlepramic acid
Systematic Name3-(2-cyclopenten-1-yl)-propanoic acid
Synonyms3‑(cyclo­pent-2-en-1-yl)-propa­noic acid; Alepraic acid
Exact Mass
140.0837 (neutral)    Calculate m/z:
FormulaC8H12O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID15650101
PlantFA ID10216
InChIKeyZKEQEKIUJNGBRM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10)
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SMILES
C(O)(=O)CCC1CCC=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
146.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.82Molar
Refractivity
38.73