2H-pyrrole

C4H5N — CID 6857512

IUPAC2H-pyrrole
SMILESC1=CCN=C1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2
InChIKeyJZIBVTUXIVIFGC-UHFFFAOYSA-N
MW67.09 g/mol
LogP0.63
Rot. Bonds

About 2H-pyrrole

2H-pyrrole (PubChem CID 6857512) has the molecular formula C4H5N and a molecular weight of 67.09 g/mol. Its IUPAC name is 2H-pyrrole.

Molecular Properties

Compound Name2H-pyrrole
PubChem CID6857512
Molecular FormulaC4H5N
Molecular Weight67.09 g/mol
Exact Mass67.04
IUPAC Name2H-pyrrole
SMILESC1=CCN=C1
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2
InChIKeyJZIBVTUXIVIFGC-UHFFFAOYSA-N
XLogP0.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrole?
The IUPAC name of 2H-pyrrole (CID 6857512) is 2H-pyrrole.
What is the SMILES notation for 2H-pyrrole?
The canonical SMILES for 2H-pyrrole is C1=CCN=C1.
What is the InChIKey of 2H-pyrrole?
The InChIKey is JZIBVTUXIVIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2.
What are the key properties of 2H-pyrrole?
2H-pyrrole has a molecular weight of 67.09 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrole is sourced from PubChem (CID 6857512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).