[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate

C13H12N2O4 — CID 51930960

IUPAC[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate
SMILESC[C@@H]1C[C@@H](OC(=O)c2ccc3cn[nH]c3c2)C(=O)O1
InChIInChI=1S/C13H12N2O4/c1-7-4-11(13(17)18-7)19-12(16)8-2-3-9-6-14-15-10(9)5-8/h2-3,5-7,11H,4H2,1H3,(H,14,15)/t7-,11-/m1/s1
InChIKeyFSYVNQNGYWNSOJ-RDDDGLTNSA-N
MW260.25 g/mol
LogP1.42
Rot. Bonds2

About [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate

[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate (PubChem CID 51930960) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate
PubChem CID51930960
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate
SMILESC[C@@H]1C[C@@H](OC(=O)c2ccc3cn[nH]c3c2)C(=O)O1
InChIInChI=1S/C13H12N2O4/c1-7-4-11(13(17)18-7)19-12(16)8-2-3-9-6-14-15-10(9)5-8/h2-3,5-7,11H,4H2,1H3,(H,14,15)/t7-,11-/m1/s1
InChIKeyFSYVNQNGYWNSOJ-RDDDGLTNSA-N
XLogP1.42
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate?
The IUPAC name of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate (CID 51930960) is [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate.
What is the SMILES notation for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate?
The canonical SMILES for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate is C[C@@H]1C[C@@H](OC(=O)c2ccc3cn[nH]c3c2)C(=O)O1.
What is the InChIKey of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate?
The InChIKey is FSYVNQNGYWNSOJ-RDDDGLTNSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-4-11(13(17)18-7)19-12(16)8-2-3-9-6-14-15-10(9)5-8/h2-3,5-7,11H,4H2,1H3,(H,14,15)/t7-,11-/m1/s1.
What are the key properties of [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate?
[(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-methyl-2-oxooxolan-3-yl] 1H-indazole-6-carboxylate is sourced from PubChem (CID 51930960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).