hydron;2H-pyrrole

C4H6N+ — CID 174472212

IUPAChydron;2H-pyrrole
SMILESC1=CCN=C1.[H+]
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2/p+1
InChIKeyJZIBVTUXIVIFGC-UHFFFAOYSA-O
MW68.10 g/mol
LogP0.74
Rot. Bonds

About hydron;2H-pyrrole

hydron;2H-pyrrole (PubChem CID 174472212) has the molecular formula C4H6N+ and a molecular weight of 68.10 g/mol. Its IUPAC name is hydron;2H-pyrrole.

Molecular Properties

Compound Namehydron;2H-pyrrole
PubChem CID174472212
Molecular FormulaC4H6N+
Molecular Weight68.10 g/mol
Exact Mass68.05
IUPAC Namehydron;2H-pyrrole
SMILESC1=CCN=C1.[H+]
InChIInChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2/p+1
InChIKeyJZIBVTUXIVIFGC-UHFFFAOYSA-O
XLogP0.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydron;2H-pyrrole?
The IUPAC name of hydron;2H-pyrrole (CID 174472212) is hydron;2H-pyrrole.
What is the SMILES notation for hydron;2H-pyrrole?
The canonical SMILES for hydron;2H-pyrrole is C1=CCN=C1.[H+].
What is the InChIKey of hydron;2H-pyrrole?
The InChIKey is JZIBVTUXIVIFGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2/p+1.
What are the key properties of hydron;2H-pyrrole?
hydron;2H-pyrrole has a molecular weight of 68.10 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2H-pyrrole is sourced from PubChem (CID 174472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).