6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid

C8H7NO5 — CID 21249826

IUPAC6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid
SMILESCNC(=O)c1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C8H7NO5/c1-9-7(11)5-2-4(10)3-6(14-5)8(12)13/h2-3H,1H3,(H,9,11)(H,12,13)
InChIKeyHIYAPYLRAZOJHU-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.30
Rot. Bonds2

About 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid

6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid (PubChem CID 21249826) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid
PubChem CID21249826
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid
SMILESCNC(=O)c1cc(=O)cc(C(=O)O)o1
InChIInChI=1S/C8H7NO5/c1-9-7(11)5-2-4(10)3-6(14-5)8(12)13/h2-3H,1H3,(H,9,11)(H,12,13)
InChIKeyHIYAPYLRAZOJHU-UHFFFAOYSA-N
XLogP-0.30
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid (CID 21249826) is 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid is CNC(=O)c1cc(=O)cc(C(=O)O)o1.
What is the InChIKey of 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid?
The InChIKey is HIYAPYLRAZOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-9-7(11)5-2-4(10)3-6(14-5)8(12)13/h2-3H,1H3,(H,9,11)(H,12,13).
What are the key properties of 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid?
6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid has a molecular weight of 197.15 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylcarbamoyl)-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 21249826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).