6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

C13H13NO4 — CID 146546193

IUPAC6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(C)cc2oc1=O
InChIInChI=1S/C13H13NO4/c1-6-5-9-10(11(15)7(2)13(17)18-9)12(16)14(6)8-3-4-8/h5,8,15H,3-4H2,1-2H3
InChIKeyAQVXPZKHYFIWNE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.61
Rot. Bonds1

About 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 146546193) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID146546193
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(C)cc2oc1=O
InChIInChI=1S/C13H13NO4/c1-6-5-9-10(11(15)7(2)13(17)18-9)12(16)14(6)8-3-4-8/h5,8,15H,3-4H2,1-2H3
InChIKeyAQVXPZKHYFIWNE-UHFFFAOYSA-N
XLogP1.61
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (CID 146546193) is 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is Cc1c(O)c2c(=O)n(C3CC3)c(C)cc2oc1=O.
What is the InChIKey of 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is AQVXPZKHYFIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-6-5-9-10(11(15)7(2)13(17)18-9)12(16)14(6)8-3-4-8/h5,8,15H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 247.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-hydroxy-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 146546193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).