2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide

C10H13NO4 — CID 167941602

IUPAC2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide
SMILESCCc1occc(=O)c1OCC(=O)NC
InChIInChI=1S/C10H13NO4/c1-3-8-10(7(12)4-5-14-8)15-6-9(13)11-2/h4-5H,3,6H2,1-2H3,(H,11,13)
InChIKeyMCDUCWLCIXEWCE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.33
Rot. Bonds4

About 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide

2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide (PubChem CID 167941602) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide
PubChem CID167941602
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide
SMILESCCc1occc(=O)c1OCC(=O)NC
InChIInChI=1S/C10H13NO4/c1-3-8-10(7(12)4-5-14-8)15-6-9(13)11-2/h4-5H,3,6H2,1-2H3,(H,11,13)
InChIKeyMCDUCWLCIXEWCE-UHFFFAOYSA-N
XLogP0.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide (CID 167941602) is 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide is CCc1occc(=O)c1OCC(=O)NC.
What is the InChIKey of 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide?
The InChIKey is MCDUCWLCIXEWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-8-10(7(12)4-5-14-8)15-6-9(13)11-2/h4-5H,3,6H2,1-2H3,(H,11,13).
What are the key properties of 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide?
2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide has a molecular weight of 211.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 167941602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).