2-(3-ethynyloxetan-3-yl)oxyacetamide

C7H9NO3 — CID 176699633

IUPAC2-(3-ethynyloxetan-3-yl)oxyacetamide
SMILESC#CC1(OCC(N)=O)COC1
InChIInChI=1S/C7H9NO3/c1-2-7(4-10-5-7)11-3-6(8)9/h1H,3-5H2,(H2,8,9)
InChIKeyCPELKKYDJIXDKF-UHFFFAOYSA-N
MW155.15 g/mol
LogP-1.11
Rot. Bonds3

About 2-(3-ethynyloxetan-3-yl)oxyacetamide

2-(3-ethynyloxetan-3-yl)oxyacetamide (PubChem CID 176699633) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(3-ethynyloxetan-3-yl)oxyacetamide.

Molecular Properties

Compound Name2-(3-ethynyloxetan-3-yl)oxyacetamide
PubChem CID176699633
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(3-ethynyloxetan-3-yl)oxyacetamide
SMILESC#CC1(OCC(N)=O)COC1
InChIInChI=1S/C7H9NO3/c1-2-7(4-10-5-7)11-3-6(8)9/h1H,3-5H2,(H2,8,9)
InChIKeyCPELKKYDJIXDKF-UHFFFAOYSA-N
XLogP-1.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynyloxetan-3-yl)oxyacetamide?
The IUPAC name of 2-(3-ethynyloxetan-3-yl)oxyacetamide (CID 176699633) is 2-(3-ethynyloxetan-3-yl)oxyacetamide.
What is the SMILES notation for 2-(3-ethynyloxetan-3-yl)oxyacetamide?
The canonical SMILES for 2-(3-ethynyloxetan-3-yl)oxyacetamide is C#CC1(OCC(N)=O)COC1.
What is the InChIKey of 2-(3-ethynyloxetan-3-yl)oxyacetamide?
The InChIKey is CPELKKYDJIXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-7(4-10-5-7)11-3-6(8)9/h1H,3-5H2,(H2,8,9).
What are the key properties of 2-(3-ethynyloxetan-3-yl)oxyacetamide?
2-(3-ethynyloxetan-3-yl)oxyacetamide has a molecular weight of 155.15 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyloxetan-3-yl)oxyacetamide is sourced from PubChem (CID 176699633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).