2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone

C8H13NO2 — CID 88656601

IUPAC2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CO1)[C@H]1CCCN1
InChIInChI=1S/C8H13NO2/c10-8(4-6-5-11-6)7-2-1-3-9-7/h6-7,9H,1-5H2/t6?,7-/m1/s1
InChIKeyCRLZDHHQKDTRFN-COBSHVIPSA-N
MW155.20 g/mol
LogP0.10
Rot. Bonds3

About 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone

2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone (PubChem CID 88656601) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone
PubChem CID88656601
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CO1)[C@H]1CCCN1
InChIInChI=1S/C8H13NO2/c10-8(4-6-5-11-6)7-2-1-3-9-7/h6-7,9H,1-5H2/t6?,7-/m1/s1
InChIKeyCRLZDHHQKDTRFN-COBSHVIPSA-N
XLogP0.10
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone (CID 88656601) is 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone is O=C(CC1CO1)[C@H]1CCCN1.
What is the InChIKey of 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone?
The InChIKey is CRLZDHHQKDTRFN-COBSHVIPSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(4-6-5-11-6)7-2-1-3-9-7/h6-7,9H,1-5H2/t6?,7-/m1/s1.
What are the key properties of 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone?
2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone has a molecular weight of 155.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1-[(2R)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 88656601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).