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

C10H11NO2 — CID 10773650

IUPAC5-hydroxy-3,3-dimethyl-2H-isoindol-1-one
SMILESCC1(C)NC(=O)c2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-10(2)8-5-6(12)3-4-7(8)9(13)11-10/h3-5,12H,1-2H3,(H,11,13)
InChIKeyFVCRIHYVGXINBC-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.37
Rot. Bonds

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

5-hydroxy-3,3-dimethyl-2H-isoindol-1-one (PubChem CID 10773650) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one.

Molecular Properties

Compound Name5-hydroxy-3,3-dimethyl-2H-isoindol-1-one
PubChem CID10773650
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-hydroxy-3,3-dimethyl-2H-isoindol-1-one
SMILESCC1(C)NC(=O)c2ccc(O)cc21
InChIInChI=1S/C10H11NO2/c1-10(2)8-5-6(12)3-4-7(8)9(13)11-10/h3-5,12H,1-2H3,(H,11,13)
InChIKeyFVCRIHYVGXINBC-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3,5-dimethyl-2H-isoindol-1-one
CID 155187215
6-ethyl-3,3-dimethyl-2H-isoindol-1-one
CID 138530782
3-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-5-hydroxy-3-methyl-2H-isoindol-1-one
CID 154691367
6-isocyanato-3,3-dimethyl-2H-isoindol-1-one
CID 169355531
5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one
CID 165052324
5-[2-amino-6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3,3-dimethyl-2H-isoindol-1-one
CID 166094424
8-hydroxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 141282919
6,15-dihydroxy-2,11-dimethylpentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12(17),13,15-hexaene-9,18-dione
CID 148909136
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
3-ethyl-3-hydroxy-5-methyl-2H-isoindol-1-one
CID 123342063
7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
CID 165352303
9,9-diethylfluoren-2-ol
CID 163996675

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one?
The IUPAC name of 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one (CID 10773650) is 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one.
What is the SMILES notation for 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one?
The canonical SMILES for 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one is CC1(C)NC(=O)c2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one?
The InChIKey is FVCRIHYVGXINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)8-5-6(12)3-4-7(8)9(13)11-10/h3-5,12H,1-2H3,(H,11,13).
What are the key properties of 5-hydroxy-3,3-dimethyl-2H-isoindol-1-one?
5-hydroxy-3,3-dimethyl-2H-isoindol-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.37, 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-2H-isoindol-1-one is sourced from PubChem (CID 10773650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).