trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide

C8H15INP — CID 23031297

IUPACtrimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
SMILESC[P+](C)(C)Cc1ccc[nH]1.[I-]
InChIInChI=1S/C8H15NP.HI/c1-10(2,3)7-8-5-4-6-9-8;/h4-6,9H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyRIJLDFMFXMXLGM-UHFFFAOYSA-M
MW283.09 g/mol
LogP-0.57
Rot. Bonds2

About trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide

trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide (PubChem CID 23031297) has the molecular formula C8H15INP and a molecular weight of 283.09 g/mol. Its IUPAC name is trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide.

Molecular Properties

Compound Nametrimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
PubChem CID23031297
Molecular FormulaC8H15INP
Molecular Weight283.09 g/mol
Exact Mass283.00
IUPAC Nametrimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
SMILESC[P+](C)(C)Cc1ccc[nH]1.[I-]
InChIInChI=1S/C8H15NP.HI/c1-10(2,3)7-8-5-4-6-9-8;/h4-6,9H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyRIJLDFMFXMXLGM-UHFFFAOYSA-M
XLogP-0.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide?
The IUPAC name of trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide (CID 23031297) is trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide.
What is the SMILES notation for trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide?
The canonical SMILES for trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide is C[P+](C)(C)Cc1ccc[nH]1.[I-].
What is the InChIKey of trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide?
The InChIKey is RIJLDFMFXMXLGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NP.HI/c1-10(2,3)7-8-5-4-6-9-8;/h4-6,9H,7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide?
trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide has a molecular weight of 283.09 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide is sourced from PubChem (CID 23031297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).