phosphane;1H-pyrrole;hydrobromide

C4H9BrNP — CID 174779727

IUPACphosphane;1H-pyrrole;hydrobromide
SMILESBr.P.c1cc[nH]c1
InChIInChI=1S/C4H5N.BrH.H3P/c1-2-4-5-3-1;;/h1-5H;1H;1H3
InChIKeyURNKPDNBLHZQDR-UHFFFAOYSA-N
MW182.00 g/mol
LogP1.65
Rot. Bonds

About phosphane;1H-pyrrole;hydrobromide

phosphane;1H-pyrrole;hydrobromide (PubChem CID 174779727) has the molecular formula C4H9BrNP and a molecular weight of 182.00 g/mol. Its IUPAC name is phosphane;1H-pyrrole;hydrobromide.

Molecular Properties

Compound Namephosphane;1H-pyrrole;hydrobromide
PubChem CID174779727
Molecular FormulaC4H9BrNP
Molecular Weight182.00 g/mol
Exact Mass180.97
IUPAC Namephosphane;1H-pyrrole;hydrobromide
SMILESBr.P.c1cc[nH]c1
InChIInChI=1S/C4H5N.BrH.H3P/c1-2-4-5-3-1;;/h1-5H;1H;1H3
InChIKeyURNKPDNBLHZQDR-UHFFFAOYSA-N
XLogP1.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.00
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phosphane;1H-pyrrole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphane;1H-pyrrole;hydrobromide?
The IUPAC name of phosphane;1H-pyrrole;hydrobromide (CID 174779727) is phosphane;1H-pyrrole;hydrobromide.
What is the SMILES notation for phosphane;1H-pyrrole;hydrobromide?
The canonical SMILES for phosphane;1H-pyrrole;hydrobromide is Br.P.c1cc[nH]c1.
What is the InChIKey of phosphane;1H-pyrrole;hydrobromide?
The InChIKey is URNKPDNBLHZQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.BrH.H3P/c1-2-4-5-3-1;;/h1-5H;1H;1H3.
What are the key properties of phosphane;1H-pyrrole;hydrobromide?
phosphane;1H-pyrrole;hydrobromide has a molecular weight of 182.00 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;1H-pyrrole;hydrobromide is sourced from PubChem (CID 174779727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).