3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one

C15H12N2O3 — CID 652446

IUPAC3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1
InChIInChI=1S/C15H12N2O3/c18-13(10-4-3-7-16-9-10)8-15(20)11-5-1-2-6-12(11)17-14(15)19/h1-7,9,20H,8H2,(H,17,19)
InChIKeyAHXRLADLJSXWQH-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.49
Rot. Bonds3

About 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one

3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one (PubChem CID 652446) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
PubChem CID652446
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1
InChIInChI=1S/C15H12N2O3/c18-13(10-4-3-7-16-9-10)8-15(20)11-5-1-2-6-12(11)17-14(15)19/h1-7,9,20H,8H2,(H,17,19)
InChIKeyAHXRLADLJSXWQH-UHFFFAOYSA-N
XLogP1.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one (CID 652446) is 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
The InChIKey is AHXRLADLJSXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13(10-4-3-7-16-9-10)8-15(20)11-5-1-2-6-12(11)17-14(15)19/h1-7,9,20H,8H2,(H,17,19).
What are the key properties of 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one?
3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one has a molecular weight of 268.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 652446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).