1H-pyrrole

C4H5N — CID 8027

IUPAC1H-pyrrole
SMILESc1cc[nH]c1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKeyKAESVJOAVNADME-UHFFFAOYSA-N
MW67.09 g/mol
LogP1.01
Rot. Bonds

About 1H-pyrrole

1H-pyrrole (PubChem CID 8027) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 1H-pyrrole.

Molecular Properties

Compound Name1H-pyrrole
PubChem CID8027
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name1H-pyrrole
SMILESc1cc[nH]c1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKeyKAESVJOAVNADME-UHFFFAOYSA-N
XLogP1.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole?
The IUPAC name of 1H-pyrrole (CID 8027) is 1H-pyrrole.
What is the SMILES notation for 1H-pyrrole?
The canonical SMILES for 1H-pyrrole is c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole?
The InChIKey is KAESVJOAVNADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H.
What are the key properties of 1H-pyrrole?
1H-pyrrole has a molecular weight of 67.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole is sourced from PubChem (CID 8027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).