2-ethenoxy-N-methylacetamide

C5H9NO2 — CID 20688854

IUPAC2-ethenoxy-N-methylacetamide
SMILESC=COCC(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-8-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyWPAIYDAASJKWND-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.11
Rot. Bonds3

About 2-ethenoxy-N-methylacetamide

2-ethenoxy-N-methylacetamide (PubChem CID 20688854) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-ethenoxy-N-methylacetamide.

Molecular Properties

Compound Name2-ethenoxy-N-methylacetamide
PubChem CID20688854
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-ethenoxy-N-methylacetamide
SMILESC=COCC(=O)NC
InChIInChI=1S/C5H9NO2/c1-3-8-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7)
InChIKeyWPAIYDAASJKWND-UHFFFAOYSA-N
XLogP-0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.11
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-ethenoxy-N-methylacetamide?
The IUPAC name of 2-ethenoxy-N-methylacetamide (CID 20688854) is 2-ethenoxy-N-methylacetamide.
What is the SMILES notation for 2-ethenoxy-N-methylacetamide?
The canonical SMILES for 2-ethenoxy-N-methylacetamide is C=COCC(=O)NC.
What is the InChIKey of 2-ethenoxy-N-methylacetamide?
The InChIKey is WPAIYDAASJKWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-8-4-5(7)6-2/h3H,1,4H2,2H3,(H,6,7).
What are the key properties of 2-ethenoxy-N-methylacetamide?
2-ethenoxy-N-methylacetamide has a molecular weight of 115.13 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-N-methylacetamide is sourced from PubChem (CID 20688854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).