methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate

C12H13NO5 — CID 117380531

IUPACmethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2
InChIInChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14)
InChIKeyHHLPQNBITCITBQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.40
Rot. Bonds3

About methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate

methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate (PubChem CID 117380531) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
PubChem CID117380531
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2
InChIInChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14)
InChIKeyHHLPQNBITCITBQ-UHFFFAOYSA-N
XLogP0.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate (CID 117380531) is methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate is COC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2.
What is the InChIKey of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The InChIKey is HHLPQNBITCITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate has a molecular weight of 251.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate is sourced from PubChem (CID 117380531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).