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

C10H11NO2 — CID 600894

IUPAC5-hydroxy-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-6-8-5-7(12)3-4-9(8)11(2)10(6)13/h3-6,12H,1-2H3
InChIKeyYQPARKFXCYFIBD-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.47
Rot. Bonds

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

5-hydroxy-1,3-dimethyl-3H-indol-2-one (PubChem CID 600894) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-hydroxy-1,3-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-hydroxy-1,3-dimethyl-3H-indol-2-one
PubChem CID600894
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-hydroxy-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-6-8-5-7(12)3-4-9(8)11(2)10(6)13/h3-6,12H,1-2H3
InChIKeyYQPARKFXCYFIBD-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxyoxindole
CID 76955
1-Ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 2895148
methyl 3-(5-hydroxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)propyl(methyl)carbamate
CID 3102997
5-Hydroxy-2-(4-hydroxy-2-methylphenyl)isoindoline-1,3-dione
CID 44430374
(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
CID 605506
2-Oxomelatonin
CID 9859734
2-(5-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-ylidene)propanedinitrile
CID 5328756
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one
CID 122182244
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-hydroxy-1H-indol-2-one
CID 122182253
3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone
CID 605729
5-Hydroxy-1-methylindolin-2-one
CID 10057841
5-Hydroxy-3,3-dimethylindolin-2-one
CID 1201652

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dimethyl-3H-indol-2-one?
The IUPAC name of 5-hydroxy-1,3-dimethyl-3H-indol-2-one (CID 600894) is 5-hydroxy-1,3-dimethyl-3H-indol-2-one.
What is the SMILES notation for 5-hydroxy-1,3-dimethyl-3H-indol-2-one?
The canonical SMILES for 5-hydroxy-1,3-dimethyl-3H-indol-2-one is CC1C(=O)N(C)c2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-1,3-dimethyl-3H-indol-2-one?
The InChIKey is YQPARKFXCYFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-8-5-7(12)3-4-9(8)11(2)10(6)13/h3-6,12H,1-2H3.
What are the key properties of 5-hydroxy-1,3-dimethyl-3H-indol-2-one?
5-hydroxy-1,3-dimethyl-3H-indol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dimethyl-3H-indol-2-one is sourced from PubChem (CID 600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).