1H-pyrrole;hydrobromide

C4H6BrN — CID 23179395

IUPAC1H-pyrrole;hydrobromide
SMILESBr.c1cc[nH]c1
InChIInChI=1S/C4H5N.BrH/c1-2-4-5-3-1;/h1-5H;1H
InChIKeyLEJIWJCKYUOQDZ-UHFFFAOYSA-N
MW148.00 g/mol
LogP1.59
Rot. Bonds

About 1H-pyrrole;hydrobromide

1H-pyrrole;hydrobromide (PubChem CID 23179395) has the molecular formula C4H6BrN and a molecular weight of 148.00 g/mol. Its IUPAC name is 1H-pyrrole;hydrobromide.

Molecular Properties

Compound Name1H-pyrrole;hydrobromide
PubChem CID23179395
Molecular FormulaC4H6BrN
Molecular Weight148.00 g/mol
Exact Mass146.97
IUPAC Name1H-pyrrole;hydrobromide
SMILESBr.c1cc[nH]c1
InChIInChI=1S/C4H5N.BrH/c1-2-4-5-3-1;/h1-5H;1H
InChIKeyLEJIWJCKYUOQDZ-UHFFFAOYSA-N
XLogP1.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.00
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;hydrobromide?
The IUPAC name of 1H-pyrrole;hydrobromide (CID 23179395) is 1H-pyrrole;hydrobromide.
What is the SMILES notation for 1H-pyrrole;hydrobromide?
The canonical SMILES for 1H-pyrrole;hydrobromide is Br.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;hydrobromide?
The InChIKey is LEJIWJCKYUOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.BrH/c1-2-4-5-3-1;/h1-5H;1H.
What are the key properties of 1H-pyrrole;hydrobromide?
1H-pyrrole;hydrobromide has a molecular weight of 148.00 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;hydrobromide is sourced from PubChem (CID 23179395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).