[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane

C6H12NOP — CID 58120252

IUPAC[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
SMILESPN1CC[C@H]([C@@H]2CO2)C1
InChIInChI=1S/C6H12NOP/c9-7-2-1-5(3-7)6-4-8-6/h5-6H,1-4,9H2/t5-,6-/m0/s1
InChIKeyQUIKVALLTVWKDE-WDSKDSINSA-N
MW145.14 g/mol
LogP0.50
Rot. Bonds1

About [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane

[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane (PubChem CID 58120252) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Name[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
PubChem CID58120252
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane
SMILESPN1CC[C@H]([C@@H]2CO2)C1
InChIInChI=1S/C6H12NOP/c9-7-2-1-5(3-7)6-4-8-6/h5-6H,1-4,9H2/t5-,6-/m0/s1
InChIKeyQUIKVALLTVWKDE-WDSKDSINSA-N
XLogP0.50
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane?
The IUPAC name of [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane (CID 58120252) is [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane.
What is the SMILES notation for [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane?
The canonical SMILES for [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane is PN1CC[C@H]([C@@H]2CO2)C1.
What is the InChIKey of [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane?
The InChIKey is QUIKVALLTVWKDE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12NOP/c9-7-2-1-5(3-7)6-4-8-6/h5-6H,1-4,9H2/t5-,6-/m0/s1.
What are the key properties of [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane?
[(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane has a molecular weight of 145.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2R)-oxiran-2-yl]pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 58120252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).