methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate

C11H11NO4 — CID 122369713

IUPACmethyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1C(=O)Nc2c(O)cccc21
InChIInChI=1S/C11H11NO4/c1-16-9(14)5-7-6-3-2-4-8(13)10(6)12-11(7)15/h2-4,7,13H,5H2,1H3,(H,12,15)
InChIKeyJGPLAXJADUJXRS-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.99
Rot. Bonds2

About methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate

methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate (PubChem CID 122369713) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
PubChem CID122369713
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCOC(=O)CC1C(=O)Nc2c(O)cccc21
InChIInChI=1S/C11H11NO4/c1-16-9(14)5-7-6-3-2-4-8(13)10(6)12-11(7)15/h2-4,7,13H,5H2,1H3,(H,12,15)
InChIKeyJGPLAXJADUJXRS-UHFFFAOYSA-N
XLogP0.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The IUPAC name of methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate (CID 122369713) is methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The canonical SMILES for methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate is COC(=O)CC1C(=O)Nc2c(O)cccc21.
What is the InChIKey of methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The InChIKey is JGPLAXJADUJXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-16-9(14)5-7-6-3-2-4-8(13)10(6)12-11(7)15/h2-4,7,13H,5H2,1H3,(H,12,15).
What are the key properties of methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate has a molecular weight of 221.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 122369713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).