5-hydroxy-3,3-dimethyl-1H-indol-2-one

C10H11NO2 — CID 1201652

IUPAC5-hydroxy-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-10(2)7-5-6(12)3-4-8(7)11-9(10)13/h3-5,12H,1-2H3,(H,11,13)
InChIKeyIVMYKLYNZCWHTC-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.62
Rot. Bonds

About 5-hydroxy-3,3-dimethyl-1H-indol-2-one

5-hydroxy-3,3-dimethyl-1H-indol-2-one (PubChem CID 1201652) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-hydroxy-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-hydroxy-3,3-dimethyl-1H-indol-2-one
PubChem CID1201652
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-hydroxy-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-10(2)7-5-6(12)3-4-8(7)11-9(10)13/h3-5,12H,1-2H3,(H,11,13)
InChIKeyIVMYKLYNZCWHTC-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-hydroxy-3,3-dimethyl-1H-indol-2-one (CID 1201652) is 5-hydroxy-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-hydroxy-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-hydroxy-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-3,3-dimethyl-1H-indol-2-one?
The InChIKey is IVMYKLYNZCWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)7-5-6(12)3-4-8(7)11-9(10)13/h3-5,12H,1-2H3,(H,11,13).
What are the key properties of 5-hydroxy-3,3-dimethyl-1H-indol-2-one?
5-hydroxy-3,3-dimethyl-1H-indol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 1201652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).