2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide

C11H15NO4 — CID 99842204

IUPAC2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1coc(C)cc1=O
InChIInChI=1S/C11H15NO4/c1-3-4-12-11(14)7-16-10-6-15-8(2)5-9(10)13/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyCCTHHPZTJMOUTB-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.85
Rot. Bonds5

About 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide

2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide (PubChem CID 99842204) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
PubChem CID99842204
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1coc(C)cc1=O
InChIInChI=1S/C11H15NO4/c1-3-4-12-11(14)7-16-10-6-15-8(2)5-9(10)13/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyCCTHHPZTJMOUTB-UHFFFAOYSA-N
XLogP0.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide (CID 99842204) is 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide is CCCNC(=O)COc1coc(C)cc1=O.
What is the InChIKey of 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The InChIKey is CCTHHPZTJMOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-4-12-11(14)7-16-10-6-15-8(2)5-9(10)13/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide has a molecular weight of 225.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide is sourced from PubChem (CID 99842204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).