(2-oxoindol-5-yl) acetate

C10H7NO3 — CID 174780989

IUPAC(2-oxoindol-5-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H7NO3/c1-6(12)14-8-2-3-9-7(4-8)5-10(13)11-9/h2-5H,1H3
InChIKeyYSCZEXGYOCLEJZ-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.45
Rot. Bonds1

About (2-oxoindol-5-yl) acetate

(2-oxoindol-5-yl) acetate (PubChem CID 174780989) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2-oxoindol-5-yl) acetate.

Molecular Properties

Compound Name(2-oxoindol-5-yl) acetate
PubChem CID174780989
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name(2-oxoindol-5-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H7NO3/c1-6(12)14-8-2-3-9-7(4-8)5-10(13)11-9/h2-5H,1H3
InChIKeyYSCZEXGYOCLEJZ-UHFFFAOYSA-N
XLogP-0.45
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxoindol-5-yl) acetate?
The IUPAC name of (2-oxoindol-5-yl) acetate (CID 174780989) is (2-oxoindol-5-yl) acetate.
What is the SMILES notation for (2-oxoindol-5-yl) acetate?
The canonical SMILES for (2-oxoindol-5-yl) acetate is CC(=O)Oc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of (2-oxoindol-5-yl) acetate?
The InChIKey is YSCZEXGYOCLEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c1-6(12)14-8-2-3-9-7(4-8)5-10(13)11-9/h2-5H,1H3.
What are the key properties of (2-oxoindol-5-yl) acetate?
(2-oxoindol-5-yl) acetate has a molecular weight of 189.17 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoindol-5-yl) acetate is sourced from PubChem (CID 174780989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).