5-methoxy-N-methyl-4-oxopyran-2-carboxamide

C8H9NO4 — CID 130652262

IUPAC5-methoxy-N-methyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C8H9NO4/c1-9-8(11)6-3-5(10)7(12-2)4-13-6/h3-4H,1-2H3,(H,9,11)
InChIKeyQZPJWVGVVZKQSJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.01
Rot. Bonds2

About 5-methoxy-N-methyl-4-oxopyran-2-carboxamide

5-methoxy-N-methyl-4-oxopyran-2-carboxamide (PubChem CID 130652262) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-methoxy-N-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-4-oxopyran-2-carboxamide
PubChem CID130652262
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-methoxy-N-methyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C8H9NO4/c1-9-8(11)6-3-5(10)7(12-2)4-13-6/h3-4H,1-2H3,(H,9,11)
InChIKeyQZPJWVGVVZKQSJ-UHFFFAOYSA-N
XLogP0.01
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-4-oxopyran-2-carboxamide (CID 130652262) is 5-methoxy-N-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-4-oxopyran-2-carboxamide is CNC(=O)c1cc(=O)c(OC)co1.
What is the InChIKey of 5-methoxy-N-methyl-4-oxopyran-2-carboxamide?
The InChIKey is QZPJWVGVVZKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-9-8(11)6-3-5(10)7(12-2)4-13-6/h3-4H,1-2H3,(H,9,11).
What are the key properties of 5-methoxy-N-methyl-4-oxopyran-2-carboxamide?
5-methoxy-N-methyl-4-oxopyran-2-carboxamide has a molecular weight of 183.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 130652262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).