Marvin  04270617182D          

  5  5  0  0  0  0            999 V2000
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
> <ID>
CHEBI:19203

> <NAME>
1H-pyrrole

> <DEFINITION>
A tautomer of pyrrole that has the double bonds at positions 2 and 4.

> <STAR>
3

> <SYNONYM>
pyrrole; Pyrrol; monopyrrole; imidole; divinylenimine; divinyleneimine; 1H-pyrrole; 1-aza-2,4-cyclopentadiene

> <IUPAC_NAME>
1H-pyrrole

> <FORMULA>
C4H5N

> <MASS>
67.08924

> <MONOISOTOPIC_MASS>
67.04220

> <CHARGE>
0

> <SMILES>
c1cc[nH]c1

> <INCHI>
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H

> <INCHIKEY>
KAESVJOAVNADME-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1159

> <CAS_REGISTRY_NUMBER>
109-97-7

> <GMELIN_REGISTRY_NUMBER>
1705

> <CHEMIDPLUS>
109-97-7

> <NIST_CHEMISTRY_WEBBOOK>
109-97-7

> <PUBMED_CITATION>
1556177; 2917974

$$$$