3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

C7H7NO4 — CID 102079077

IUPAC3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(N)=O)o1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)5(10)6(12-3)7(8)11/h2,10H,1H3,(H2,8,11)
InChIKeyHXZUBGYJZLOAIC-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.25
Rot. Bonds1

About 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 102079077) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
PubChem CID102079077
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(N)=O)o1
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)5(10)6(12-3)7(8)11/h2,10H,1H3,(H2,8,11)
InChIKeyHXZUBGYJZLOAIC-UHFFFAOYSA-N
XLogP-0.25
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (CID 102079077) is 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)c(O)c(C(N)=O)o1.
What is the InChIKey of 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is HXZUBGYJZLOAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-3-2-4(9)5(10)6(12-3)7(8)11/h2,10H,1H3,(H2,8,11).
What are the key properties of 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
3-hydroxy-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 102079077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).