methyl(pyrrolidin-1-yl)phosphanium

C5H13NP+ — CID 18737204

IUPACmethyl(pyrrolidin-1-yl)phosphanium
SMILESC[PH2+]N1CCCC1
InChIInChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3/p+1
InChIKeyKJNXFNDLEUTSQM-UHFFFAOYSA-O
MW118.14 g/mol
LogP1.04
Rot. Bonds1

About methyl(pyrrolidin-1-yl)phosphanium

methyl(pyrrolidin-1-yl)phosphanium (PubChem CID 18737204) has the molecular formula C5H13NP+ and a molecular weight of 118.14 g/mol. Its IUPAC name is methyl(pyrrolidin-1-yl)phosphanium.

Molecular Properties

Compound Namemethyl(pyrrolidin-1-yl)phosphanium
PubChem CID18737204
Molecular FormulaC5H13NP+
Molecular Weight118.14 g/mol
Exact Mass118.08
IUPAC Namemethyl(pyrrolidin-1-yl)phosphanium
SMILESC[PH2+]N1CCCC1
InChIInChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3/p+1
InChIKeyKJNXFNDLEUTSQM-UHFFFAOYSA-O
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(pyrrolidin-1-yl)phosphanium?
The IUPAC name of methyl(pyrrolidin-1-yl)phosphanium (CID 18737204) is methyl(pyrrolidin-1-yl)phosphanium.
What is the SMILES notation for methyl(pyrrolidin-1-yl)phosphanium?
The canonical SMILES for methyl(pyrrolidin-1-yl)phosphanium is C[PH2+]N1CCCC1.
What is the InChIKey of methyl(pyrrolidin-1-yl)phosphanium?
The InChIKey is KJNXFNDLEUTSQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12NP/c1-7-6-4-2-3-5-6/h7H,2-5H2,1H3/p+1.
What are the key properties of methyl(pyrrolidin-1-yl)phosphanium?
methyl(pyrrolidin-1-yl)phosphanium has a molecular weight of 118.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pyrrolidin-1-yl)phosphanium is sourced from PubChem (CID 18737204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).