methanolate;tetrapyrrolidin-1-ylphosphanium

C17H35N4OP — CID 175019090

IUPACmethanolate;tetrapyrrolidin-1-ylphosphanium
SMILESC1CCN([P+](N2CCCC2)(N2CCCC2)N2CCCC2)C1.C[O-]
InChIInChI=1S/C16H32N4P.CH3O/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20;1-2/h1-16H2;1H3/q+1;-1
InChIKeyZPSUHWOTMSHWPS-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.02
Rot. Bonds4

About methanolate;tetrapyrrolidin-1-ylphosphanium

methanolate;tetrapyrrolidin-1-ylphosphanium (PubChem CID 175019090) has the molecular formula C17H35N4OP and a molecular weight of 342.47 g/mol. Its IUPAC name is methanolate;tetrapyrrolidin-1-ylphosphanium.

Molecular Properties

Compound Namemethanolate;tetrapyrrolidin-1-ylphosphanium
PubChem CID175019090
Molecular FormulaC17H35N4OP
Molecular Weight342.47 g/mol
Exact Mass342.25
IUPAC Namemethanolate;tetrapyrrolidin-1-ylphosphanium
SMILESC1CCN([P+](N2CCCC2)(N2CCCC2)N2CCCC2)C1.C[O-]
InChIInChI=1S/C16H32N4P.CH3O/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20;1-2/h1-16H2;1H3/q+1;-1
InChIKeyZPSUHWOTMSHWPS-UHFFFAOYSA-N
XLogP2.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methanolate;tetra(piperidin-1-yl)phosphanium
CID 175015869
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
CID 157117793
bromo(tripyrrolidin-1-yl)phosphanium;phosphane
CID 172841152
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)
CID 173013677
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
azanium;1-methylpyrrolidine;acetate
CID 69436437
2-methyl-1-[2-(2-methylpropanoyl)diazinan-1-yl]propan-1-one
CID 13148116
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
ethane;bis(1-methylpyrrolidine)
CID 153385238
1-methylpiperidine
CID 90254979
CID 172772830
CID 172772830

Frequently Asked Questions

What is the IUPAC name of methanolate;tetrapyrrolidin-1-ylphosphanium?
The IUPAC name of methanolate;tetrapyrrolidin-1-ylphosphanium (CID 175019090) is methanolate;tetrapyrrolidin-1-ylphosphanium.
What is the SMILES notation for methanolate;tetrapyrrolidin-1-ylphosphanium?
The canonical SMILES for methanolate;tetrapyrrolidin-1-ylphosphanium is C1CCN([P+](N2CCCC2)(N2CCCC2)N2CCCC2)C1.C[O-].
What is the InChIKey of methanolate;tetrapyrrolidin-1-ylphosphanium?
The InChIKey is ZPSUHWOTMSHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4P.CH3O/c1-2-10-17(9-1)21(18-11-3-4-12-18,19-13-5-6-14-19)20-15-7-8-16-20;1-2/h1-16H2;1H3/q+1;-1.
What are the key properties of methanolate;tetrapyrrolidin-1-ylphosphanium?
methanolate;tetrapyrrolidin-1-ylphosphanium has a molecular weight of 342.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;tetrapyrrolidin-1-ylphosphanium is sourced from PubChem (CID 175019090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).