Pyrrolidine

Details

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Internal ID ea9183ec-ab16-4095-b6fb-e7931dbd73e5
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name pyrrolidine
SMILES (Canonical) C1CCNC1
SMILES (Isomeric) C1CCNC1
InChI InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChI Key RWRDLPDLKQPQOW-UHFFFAOYSA-N
Popularity 10,137 references in papers

Physical and Chemical Properties

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Molecular Formula C4H9N
Molecular Weight 71.12 g/mol
Exact Mass 71.073499291 g/mol
Topological Polar Surface Area (TPSA) 12.00 Ų
XlogP 0.50

Synonyms

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123-75-1
Tetrahydropyrrole
Tetrahydro pyrrole
Azacyclopentane
Azolidine
Tetramethylenimine
Butylenimine
Perhydropyrrole
Prolamine
1-Azacyclopentane
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Pyrrolidine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3137262 O60341 LSD1/CoREST complex 92.59% 97.09%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 90.61% 94.55%
CHEMBL228 P31645 Serotonin transporter 83.80% 95.51%
CHEMBL325 Q13547 Histone deacetylase 1 80.49% 95.92%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Camellia sinensis
Daucus carota

Cross-Links

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PubChem 31268
NPASS NPC232311