oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium

C11H13NOPS+ — CID 173086577

IUPACoxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium
SMILESO=[PH+]CCCn1cccc1-c1cccs1
InChIInChI=1S/C11H12NOPS/c13-14-8-3-7-12-6-1-4-10(12)11-5-2-9-15-11/h1-2,4-6,9H,3,7-8H2/p+1
InChIKeySGWVPKFBVCRPGW-UHFFFAOYSA-O
MW238.27 g/mol
LogP3.63
Rot. Bonds5

About oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium

oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium (PubChem CID 173086577) has the molecular formula C11H13NOPS+ and a molecular weight of 238.27 g/mol. Its IUPAC name is oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium.

Molecular Properties

Compound Nameoxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium
PubChem CID173086577
Molecular FormulaC11H13NOPS+
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameoxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium
SMILESO=[PH+]CCCn1cccc1-c1cccs1
InChIInChI=1S/C11H12NOPS/c13-14-8-3-7-12-6-1-4-10(12)11-5-2-9-15-11/h1-2,4-6,9H,3,7-8H2/p+1
InChIKeySGWVPKFBVCRPGW-UHFFFAOYSA-O
XLogP3.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium?
The IUPAC name of oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium (CID 173086577) is oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium.
What is the SMILES notation for oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium?
The canonical SMILES for oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium is O=[PH+]CCCn1cccc1-c1cccs1.
What is the InChIKey of oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium?
The InChIKey is SGWVPKFBVCRPGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12NOPS/c13-14-8-3-7-12-6-1-4-10(12)11-5-2-9-15-11/h1-2,4-6,9H,3,7-8H2/p+1.
What are the key properties of oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium?
oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium has a molecular weight of 238.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[3-(2-thiophen-2-ylpyrrol-1-yl)propyl]phosphanium is sourced from PubChem (CID 173086577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).