2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate

C10H8NO4- — CID 25202316

IUPAC2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
SMILESO=C([O-])CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)/p-1
InChIKeyMHLHEINWUCSPTL-UHFFFAOYSA-M
MW206.18 g/mol
LogP-1.03
Rot. Bonds2

About 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate

2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate (PubChem CID 25202316) has the molecular formula C10H8NO4- and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
PubChem CID25202316
Molecular FormulaC10H8NO4-
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
SMILESO=C([O-])CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)/p-1
InChIKeyMHLHEINWUCSPTL-UHFFFAOYSA-M
XLogP-1.03
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The IUPAC name of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate (CID 25202316) is 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate is O=C([O-])CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
The InChIKey is MHLHEINWUCSPTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)/p-1.
What are the key properties of 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate?
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate has a molecular weight of 206.18 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate is sourced from PubChem (CID 25202316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).