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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
methyl 2-(9H-thioxanthen-9-yl)acetate
CID 102591196
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
CID 82075718
methyl 2-(4-carbamoyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetate
CID 12857568
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
methyl 2-(11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-yl)acetate
CID 122393480
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
methyl 2-(5-hydroxy-2-methyl-1H-inden-1-yl)acetate
CID 67783618
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519

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).