oxophosphanium;pyrrolidine

C4H11NOP+ — CID 160540028

IUPACoxophosphanium;pyrrolidine
SMILESC1CCNC1.O=[PH2+]
InChIInChI=1S/C4H9N.H2OP/c1-2-4-5-3-1;1-2/h5H,1-4H2;2H2/q;+1
InChIKeyLBMULWRMKHDRAR-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.58
Rot. Bonds

About oxophosphanium;pyrrolidine

oxophosphanium;pyrrolidine (PubChem CID 160540028) has the molecular formula C4H11NOP+ and a molecular weight of 120.11 g/mol. Its IUPAC name is oxophosphanium;pyrrolidine.

Molecular Properties

Compound Nameoxophosphanium;pyrrolidine
PubChem CID160540028
Molecular FormulaC4H11NOP+
Molecular Weight120.11 g/mol
Exact Mass120.06
IUPAC Nameoxophosphanium;pyrrolidine
SMILESC1CCNC1.O=[PH2+]
InChIInChI=1S/C4H9N.H2OP/c1-2-4-5-3-1;1-2/h5H,1-4H2;2H2/q;+1
InChIKeyLBMULWRMKHDRAR-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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piperazine;pyrrolidine
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azacycloheptadecane
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azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
1,4,7-triazacycloundecane;trihydrochloride
CID 71676580
copper;pyrrolidine;zinc
CID 159538997
CID 174960010
CID 174960010
azonane;manganese
CID 57468151

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;pyrrolidine?
The IUPAC name of oxophosphanium;pyrrolidine (CID 160540028) is oxophosphanium;pyrrolidine.
What is the SMILES notation for oxophosphanium;pyrrolidine?
The canonical SMILES for oxophosphanium;pyrrolidine is C1CCNC1.O=[PH2+].
What is the InChIKey of oxophosphanium;pyrrolidine?
The InChIKey is LBMULWRMKHDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.H2OP/c1-2-4-5-3-1;1-2/h5H,1-4H2;2H2/q;+1.
What are the key properties of oxophosphanium;pyrrolidine?
oxophosphanium;pyrrolidine has a molecular weight of 120.11 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;pyrrolidine is sourced from PubChem (CID 160540028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).