3-(oxiran-2-yl)pyrrolidine

C6H11NO — CID 123765842

IUPAC3-(oxiran-2-yl)pyrrolidine
SMILESC1CC(C2CO2)CN1
InChIInChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2
InChIKeyKWGIUOPIDWFRCM-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds1

About 3-(oxiran-2-yl)pyrrolidine

3-(oxiran-2-yl)pyrrolidine (PubChem CID 123765842) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(oxiran-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(oxiran-2-yl)pyrrolidine
PubChem CID123765842
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-(oxiran-2-yl)pyrrolidine
SMILESC1CC(C2CO2)CN1
InChIInChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2
InChIKeyKWGIUOPIDWFRCM-UHFFFAOYSA-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 3-(oxiran-2-yl)pyrrolidine?
The IUPAC name of 3-(oxiran-2-yl)pyrrolidine (CID 123765842) is 3-(oxiran-2-yl)pyrrolidine.
What is the SMILES notation for 3-(oxiran-2-yl)pyrrolidine?
The canonical SMILES for 3-(oxiran-2-yl)pyrrolidine is C1CC(C2CO2)CN1.
What is the InChIKey of 3-(oxiran-2-yl)pyrrolidine?
The InChIKey is KWGIUOPIDWFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-7-3-5(1)6-4-8-6/h5-7H,1-4H2.
What are the key properties of 3-(oxiran-2-yl)pyrrolidine?
3-(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 3-(oxiran-2-yl)pyrrolidine is sourced from PubChem (CID 123765842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).