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COCONUT Compound

1-Nitrosopyrrolidine

CNP0169288.0 · C4H8N2O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1-Nitrosopyrrolidine
IUPAC Name1-nitrosopyrrolidine
COCONUT IDCNP0169288.0
CAS930-55-2, 57371-40-1, 35884-45-8
InChIKeyWNYADZVDBIBLJJ-UHFFFAOYSA-N
InChIInChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
SMILESO=NN1CCCC1

Properties

Molecular FormulaC4H8N2O
Molecular Weight100.12
Exact Mass100.06366
Log P (ALogP)0.76
TPSA32.67
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.46
NP-likeness-0.70

Classification

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

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (3)

  1. 10.1016/0304-3835(88)90018-3
  2. 10.1016/0304-3835(90)90092-C
  3. 10.1016/0378-8741(88)90069-4

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.