2-but-1-en-2-yloxyacetamide

C6H11NO2 — CID 89101591

IUPAC2-but-1-en-2-yloxyacetamide
SMILESC=C(CC)OCC(N)=O
InChIInChI=1S/C6H11NO2/c1-3-5(2)9-4-6(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyHDVCNQXHSZEETL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.41
Rot. Bonds4

About 2-but-1-en-2-yloxyacetamide

2-but-1-en-2-yloxyacetamide (PubChem CID 89101591) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-but-1-en-2-yloxyacetamide.

Molecular Properties

Compound Name2-but-1-en-2-yloxyacetamide
PubChem CID89101591
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-but-1-en-2-yloxyacetamide
SMILESC=C(CC)OCC(N)=O
InChIInChI=1S/C6H11NO2/c1-3-5(2)9-4-6(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyHDVCNQXHSZEETL-UHFFFAOYSA-N
XLogP0.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yloxyacetamide?
The IUPAC name of 2-but-1-en-2-yloxyacetamide (CID 89101591) is 2-but-1-en-2-yloxyacetamide.
What is the SMILES notation for 2-but-1-en-2-yloxyacetamide?
The canonical SMILES for 2-but-1-en-2-yloxyacetamide is C=C(CC)OCC(N)=O.
What is the InChIKey of 2-but-1-en-2-yloxyacetamide?
The InChIKey is HDVCNQXHSZEETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(2)9-4-6(7)8/h2-4H2,1H3,(H2,7,8).
What are the key properties of 2-but-1-en-2-yloxyacetamide?
2-but-1-en-2-yloxyacetamide has a molecular weight of 129.16 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yloxyacetamide is sourced from PubChem (CID 89101591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).