(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine

C6H11NO — CID 141325476

IUPAC(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine
SMILESC1C[C@@H]([C@H]2CO2)CN1
InChIInChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKeyKWGIUOPIDWFRCM-PHDIDXHHSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds1

About (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine

(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine (PubChem CID 141325476) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine
PubChem CID141325476
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine
SMILESC1C[C@@H]([C@H]2CO2)CN1
InChIInChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKeyKWGIUOPIDWFRCM-PHDIDXHHSA-N
XLogP-0.01
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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 (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine?
The IUPAC name of (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine (CID 141325476) is (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine?
The canonical SMILES for (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine is C1C[C@@H]([C@H]2CO2)CN1.
What is the InChIKey of (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine?
The InChIKey is KWGIUOPIDWFRCM-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine?
(3R)-3-[(2S)-oxiran-2-yl]pyrrolidine has a molecular weight of 113.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-oxiran-2-yl]pyrrolidine is sourced from PubChem (CID 141325476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).