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COCONUT Compound

PYRROLIDINE

CNP0572990.0 · C4H9N · View on COCONUT ↗

2D Structure

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Identifiers

NamePYRROLIDINE
IUPAC Namepyrrolidine
COCONUT IDCNP0572990.0
CAS123-75-1, 89014-29-9
InChIKeyRWRDLPDLKQPQOW-UHFFFAOYSA-N
InChIInChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
SMILESC1CCNC1

Properties

Molecular FormulaC4H9N
Molecular Weight71.12
Exact Mass71.07350
Log P (ALogP)0.37
TPSA12.03
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.43
NP-likeness0.19

Classification

NP PathwayAlkaloids
NP SuperclassLysine alkaloids
NP Class
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassPyrrolidines
Chemical SubclassPyrrolidines

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota; Daucus carota var. sativa” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (4)

  1. 10.1021/JF00107A012
  2. 10.1021/NP50008A001
  3. 10.1271/BBB1961.45.1257
  4. 10.3390/METABO4030599

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.