Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102080001
Common Name-
Systematic Name1-acetyl-4-isopropenyl-cyclopentene
Synonyms1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone
Exact Mass
150.1045 (neutral)    Calculate m/z:
FormulaC10H14O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Other cyclopentane monoterpenoids [PR010208]
PubChem CID12634575
HMDB IDHMDB0036070
InChIKeyBTXSVMBTNJSALB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3
Click to highlight InChI
SMILES
C1(C(C)=C)CC(C(C)=O)=CC1
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
170.07Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP2.49Molar
Refractivity
46.30