EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:19203 - 1H-pyrrole

Default Structure
ChEBI IDCHEBI:19203
ChEBI Name1H-pyrrole
Stars
ASCII Name1H-pyrrole
DefinitionA tautomer of pyrrole that has the double bonds at positions 2 and 4.
Last Modified23 August 2017
DownloadsMolfile
FormulaC4H5N
Net Charge0
Average Mass67.091
Monoisotopic Mass67.04220
SMILESc1ccnc1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKeyKAESVJOAVNADME-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1H-pyrrole (CHEBI:19203) is a pyrrole (CHEBI:35556)
1H-pyrrole (CHEBI:19203) is a secondary amine (CHEBI:32863)
1H-pyrrole (CHEBI:19203) is tautomer of 2H-pyrrole (CHEBI:35558)
1H-pyrrole (CHEBI:19203) is tautomer of 3H-pyrrole (CHEBI:35557)
Incoming Relation(s)
maleimide (CHEBI:16072) has parent hydride 1H-pyrrole (CHEBI:19203)
1H-pyrrolediyl group (CHEBI:51424) is substituent group from 1H-pyrrole (CHEBI:19203)
2H-pyrrole (CHEBI:35558) is tautomer of 1H-pyrrole (CHEBI:19203)
3H-pyrrole (CHEBI:35557) is tautomer of 1H-pyrrole (CHEBI:19203)
IUPAC Name 
1H-pyrrole
Synonyms  Source
1-aza-2,4-cyclopentadieneChemIDplus
divinyleneimineChemIDplus
divinylenimineNIST Chemistry WebBook
imidoleChemIDplus
monopyrroleChemIDplus
PyrrolNIST Chemistry WebBook
UniProt Name  Source
1H-pyrroleUniProt
Registry NumbersSources
Beilstein:1159Beilstein
Gmelin:1705Gmelin
CAS:109-97-7ChemIDplus
CAS:109-97-7NIST Chemistry WebBook
Citations