ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate

C12H13NO4 — CID 59293867

IUPACethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)Nc2cc(O)ccc21
InChIInChI=1S/C12H13NO4/c1-2-17-11(15)6-9-8-4-3-7(14)5-10(8)13-12(9)16/h3-5,9,14H,2,6H2,1H3,(H,13,16)
InChIKeyZGESSIUKDWDNMH-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.38
Rot. Bonds3

About ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate

ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate (PubChem CID 59293867) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
PubChem CID59293867
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
SMILESCCOC(=O)CC1C(=O)Nc2cc(O)ccc21
InChIInChI=1S/C12H13NO4/c1-2-17-11(15)6-9-8-4-3-7(14)5-10(8)13-12(9)16/h3-5,9,14H,2,6H2,1H3,(H,13,16)
InChIKeyZGESSIUKDWDNMH-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The IUPAC name of ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate (CID 59293867) is ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate is CCOC(=O)CC1C(=O)Nc2cc(O)ccc21.
What is the InChIKey of ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
The InChIKey is ZGESSIUKDWDNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-17-11(15)6-9-8-4-3-7(14)5-10(8)13-12(9)16/h3-5,9,14H,2,6H2,1H3,(H,13,16).
What are the key properties of ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate?
ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate has a molecular weight of 235.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate is sourced from PubChem (CID 59293867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).