Molecular Identity
Pyrrole
1H-pyrrole
PubChem CID: 8027
1H-pyrrole is a tautomer of pyrrole that has the double bonds at positions 2 and 4. It is a secondary amine and a pyrrole. It is a tautomer of a 3H-pyrrole and a 2H-pyrrole.
2D Structure
Properties
C4H5N
Molecular Formula
67.09
Molecular Weight
g/mol
67.0422
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
15.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
0
H-Bond Acceptors
22
Complexity
SMILES
Canonical SMILES
SMILES: C1=CNC=C1Isomeric SMILES
SMILES: C1=CNC=C1Synonyms(20)
PYRROLE1H-Pyrrole109-97-7AzoleDivinylenimineImidolePyrrolMonopyrroleDivinyleneimine1-Aza-2,4-cyclopentadieneFEMA No. 3386PyrrolesDTXSID5021910NSC-6277786S1ZD6L2C
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pyrrole
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