1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine

C7H13NO — CID 40505235

IUPAC1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
SMILESC1CCN(C[C@@H]2CO2)C1
InChIInChI=1S/C7H13NO/c1-2-4-8(3-1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1
InChIKeyWRGDZAIBNCGSKR-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds2

About 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine

1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine (PubChem CID 40505235) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
PubChem CID40505235
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
SMILESC1CCN(C[C@@H]2CO2)C1
InChIInChI=1S/C7H13NO/c1-2-4-8(3-1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1
InChIKeyWRGDZAIBNCGSKR-SSDOTTSWSA-N
XLogP0.48
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine (CID 40505235) is 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine is C1CCN(C[C@@H]2CO2)C1.
What is the InChIKey of 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine?
The InChIKey is WRGDZAIBNCGSKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-8(3-1)5-7-6-9-7/h7H,1-6H2/t7-/m1/s1.
What are the key properties of 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine?
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 40505235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).