2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one

C17H9NO3 — CID 135417048

IUPAC2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one
SMILESO=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,19H
InChIKeyBAKONHLLIOUFIF-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.12
Rot. Bonds1

About 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one

2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one (PubChem CID 135417048) has the molecular formula C17H9NO3 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one
PubChem CID135417048
Molecular FormulaC17H9NO3
Molecular Weight275.26 g/mol
Exact Mass275.06
IUPAC Name2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one
SMILESO=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21
InChIInChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,19H
InChIKeyBAKONHLLIOUFIF-UHFFFAOYSA-N
XLogP3.12
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one?
The IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one (CID 135417048) is 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one.
What is the SMILES notation for 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one?
The canonical SMILES for 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one is O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21.
What is the InChIKey of 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one?
The InChIKey is BAKONHLLIOUFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,19H.
What are the key properties of 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one?
2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one has a molecular weight of 275.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-oxoinden-2-yl)indol-3-one is sourced from PubChem (CID 135417048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).