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

C9H9NO2 — CID 11084207

IUPAC3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccccc21
InChIInChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3
InChIKeyKNLWAPGJCIOBDC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.70
Rot. Bonds

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

3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 11084207) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID11084207
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccccc21
InChIInChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3
InChIKeyKNLWAPGJCIOBDC-UHFFFAOYSA-N
XLogP0.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3H-indol-2-one (CID 11084207) is 3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is KNLWAPGJCIOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3.
What are the key properties of 3-hydroxy-1-methyl-3H-indol-2-one?
3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 11084207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).