(3S)-3-hydroxy-3-methyl-1H-indol-2-one

C9H9NO2 — CID 67360172

IUPAC(3S)-3-hydroxy-3-methyl-1H-indol-2-one
SMILESC[C@@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)/t9-/m0/s1
InChIKeyXCHBYBKNFIOSBB-VIFPVBQESA-N
MW163.18 g/mol
LogP0.85
Rot. Bonds

About (3S)-3-hydroxy-3-methyl-1H-indol-2-one

(3S)-3-hydroxy-3-methyl-1H-indol-2-one (PubChem CID 67360172) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-methyl-1H-indol-2-one
PubChem CID67360172
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(3S)-3-hydroxy-3-methyl-1H-indol-2-one
SMILESC[C@@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)/t9-/m0/s1
InChIKeyXCHBYBKNFIOSBB-VIFPVBQESA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 36460
3-Hydroxy-3-methyloxindole
CID 151066
1H-Indole-3-acetic acid, 2,3-dihydro-3-hydroxy-2-oxo-
CID 10488522
Dioxindole
CID 6097
3-Hydroxy-3-phenyl-1,3-dihydroindol-2-one
CID 15806
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
CID 11658413
Methyl 2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetate
CID 14033762
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
5-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 11836404
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5297654

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-methyl-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-methyl-1H-indol-2-one (CID 67360172) is (3S)-3-hydroxy-3-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-methyl-1H-indol-2-one is C[C@@]1(O)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-3-methyl-1H-indol-2-one?
The InChIKey is XCHBYBKNFIOSBB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-methyl-1H-indol-2-one?
(3S)-3-hydroxy-3-methyl-1H-indol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-methyl-1H-indol-2-one is sourced from PubChem (CID 67360172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).