2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one

C11H14N2O2 — CID 11195097

IUPAC2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
SMILESCN(C)N1C(=O)c2ccccc2C1(C)O
InChIInChI=1S/C11H14N2O2/c1-11(15)9-7-5-4-6-8(9)10(14)13(11)12(2)3/h4-7,15H,1-3H3
InChIKeyAXOXOHSCGCOGGK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.78
Rot. Bonds1

About 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one

2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one (PubChem CID 11195097) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
PubChem CID11195097
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
SMILESCN(C)N1C(=O)c2ccccc2C1(C)O
InChIInChI=1S/C11H14N2O2/c1-11(15)9-7-5-4-6-8(9)10(14)13(11)12(2)3/h4-7,15H,1-3H3
InChIKeyAXOXOHSCGCOGGK-UHFFFAOYSA-N
XLogP0.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-2-yl)-2-(dimethylamino)-3-hydroxyisoindol-1-one
CID 57409315
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 572155
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
3,3-dimethyl-2-oxidoisoindol-1-one
CID 172579170
(3aS,8bS)-1-(dimethylamino)-8b-hydroxy-3a-phenyl-3H-indeno[1,2-b]pyrrole-2,4-dione
CID 40619070
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
methane;9-methylfluoren-9-ol
CID 160708378
3-hydroxy-2-methyl-3-(phenoxymethyl)isoindol-1-one
CID 86053529
(3R)-3-[(4-fluorophenyl)methyl]-3-hydroxy-2-methylisoindol-1-one
CID 139196663

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one?
The IUPAC name of 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one (CID 11195097) is 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one.
What is the SMILES notation for 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one?
The canonical SMILES for 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one is CN(C)N1C(=O)c2ccccc2C1(C)O.
What is the InChIKey of 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one?
The InChIKey is AXOXOHSCGCOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(15)9-7-5-4-6-8(9)10(14)13(11)12(2)3/h4-7,15H,1-3H3.
What are the key properties of 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one?
2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one has a molecular weight of 206.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one is sourced from PubChem (CID 11195097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).