6-hydroxy-7-methoxyindol-2-one

C9H7NO3 — CID 174840087

IUPAC6-hydroxy-7-methoxyindol-2-one
SMILESCOc1c(O)ccc2c1=NC(=O)C=2
InChIInChI=1S/C9H7NO3/c1-13-9-6(11)3-2-5-4-7(12)10-8(5)9/h2-4,11H,1H3
InChIKeyKYJYOTWTTZPKJT-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.66
Rot. Bonds1

About 6-hydroxy-7-methoxyindol-2-one

6-hydroxy-7-methoxyindol-2-one (PubChem CID 174840087) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-hydroxy-7-methoxyindol-2-one.

Molecular Properties

Compound Name6-hydroxy-7-methoxyindol-2-one
PubChem CID174840087
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6-hydroxy-7-methoxyindol-2-one
SMILESCOc1c(O)ccc2c1=NC(=O)C=2
InChIInChI=1S/C9H7NO3/c1-13-9-6(11)3-2-5-4-7(12)10-8(5)9/h2-4,11H,1H3
InChIKeyKYJYOTWTTZPKJT-UHFFFAOYSA-N
XLogP-0.66
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxyindol-2-one?
The IUPAC name of 6-hydroxy-7-methoxyindol-2-one (CID 174840087) is 6-hydroxy-7-methoxyindol-2-one.
What is the SMILES notation for 6-hydroxy-7-methoxyindol-2-one?
The canonical SMILES for 6-hydroxy-7-methoxyindol-2-one is COc1c(O)ccc2c1=NC(=O)C=2.
What is the InChIKey of 6-hydroxy-7-methoxyindol-2-one?
The InChIKey is KYJYOTWTTZPKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-13-9-6(11)3-2-5-4-7(12)10-8(5)9/h2-4,11H,1H3.
What are the key properties of 6-hydroxy-7-methoxyindol-2-one?
6-hydroxy-7-methoxyindol-2-one has a molecular weight of 177.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxyindol-2-one is sourced from PubChem (CID 174840087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).