3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one

C10H11NO3 — CID 101060518

IUPAC3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(O)C(=O)N2
InChIInChI=1S/C10H11NO3/c1-10(13)7-5-6(14-2)3-4-8(7)11-9(10)12/h3-5,13H,1-2H3,(H,11,12)
InChIKeyTWCABXFOQIXCBQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.85
Rot. Bonds1

About 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one

3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one (PubChem CID 101060518) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one
PubChem CID101060518
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(O)C(=O)N2
InChIInChI=1S/C10H11NO3/c1-10(13)7-5-6(14-2)3-4-8(7)11-9(10)12/h3-5,13H,1-2H3,(H,11,12)
InChIKeyTWCABXFOQIXCBQ-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one (CID 101060518) is 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one is COc1ccc2c(c1)C(C)(O)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one?
The InChIKey is TWCABXFOQIXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(13)7-5-6(14-2)3-4-8(7)11-9(10)12/h3-5,13H,1-2H3,(H,11,12).
What are the key properties of 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one?
3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one has a molecular weight of 193.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-3-methyl-1H-indol-2-one is sourced from PubChem (CID 101060518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).