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COCONUT Compound

CYCLOPROPANE

CNP0541531.0 · C3H6 · View on COCONUT ↗

2D Structure

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Identifiers

NameCYCLOPROPANE
IUPAC Namecyclopropane
COCONUT IDCNP0541531.0
CAS75-19-4
InChIKeyLVZWSLJZHVFIQJ-UHFFFAOYSA-N
InChIInChI=1S/C3H6/c1-2-3-1/h1-3H2
SMILESC1CC1

Properties

Molecular FormulaC3H6
Molecular Weight42.08
Exact Mass42.04695
Log P (ALogP)1.17
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.38
NP-likeness-0.08

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP Class
Chemical SuperclassHydrocarbons
Chemical ClassSaturated hydrocarbons
Chemical SubclassCycloalkanes

Reported in GR-MAPs Plants

Foeniculum vulgare as “Foeniculum vulgare” in COCONUT

References (2)

  1. 10.1002/PCA.2410
  2. 10.1186/s12934-018-0912-0

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.