1-butyl-1-methylphosphindol-1-ium

C13H18P+ — CID 173176462

IUPAC1-butyl-1-methylphosphindol-1-ium
SMILESCCCC[P+]1(C)C=Cc2ccccc21
InChIInChI=1S/C13H18P/c1-3-4-10-14(2)11-9-12-7-5-6-8-13(12)14/h5-9,11H,3-4,10H2,1-2H3/q+1
InChIKeyNKONTELXLMPGMI-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.74
Rot. Bonds3

About 1-butyl-1-methylphosphindol-1-ium

1-butyl-1-methylphosphindol-1-ium (PubChem CID 173176462) has the molecular formula C13H18P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-butyl-1-methylphosphindol-1-ium.

Molecular Properties

Compound Name1-butyl-1-methylphosphindol-1-ium
PubChem CID173176462
Molecular FormulaC13H18P+
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-butyl-1-methylphosphindol-1-ium
SMILESCCCC[P+]1(C)C=Cc2ccccc21
InChIInChI=1S/C13H18P/c1-3-4-10-14(2)11-9-12-7-5-6-8-13(12)14/h5-9,11H,3-4,10H2,1-2H3/q+1
InChIKeyNKONTELXLMPGMI-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-5-methylbenzo[b]phosphindol-5-ium
CID 173176473
butyl(phenyl)iodanium
CID 87304112
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CID 157105742
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CID 173431292
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CID 174367271
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CID 162143943
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methylphosphindol-1-ium?
The IUPAC name of 1-butyl-1-methylphosphindol-1-ium (CID 173176462) is 1-butyl-1-methylphosphindol-1-ium.
What is the SMILES notation for 1-butyl-1-methylphosphindol-1-ium?
The canonical SMILES for 1-butyl-1-methylphosphindol-1-ium is CCCC[P+]1(C)C=Cc2ccccc21.
What is the InChIKey of 1-butyl-1-methylphosphindol-1-ium?
The InChIKey is NKONTELXLMPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18P/c1-3-4-10-14(2)11-9-12-7-5-6-8-13(12)14/h5-9,11H,3-4,10H2,1-2H3/q+1.
What are the key properties of 1-butyl-1-methylphosphindol-1-ium?
1-butyl-1-methylphosphindol-1-ium has a molecular weight of 205.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methylphosphindol-1-ium is sourced from PubChem (CID 173176462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).