3,3-dimethyl-2-oxidoisoindol-1-one

C10H10NO2- — CID 172579170

IUPAC3,3-dimethyl-2-oxidoisoindol-1-one
SMILESCC1(C)c2ccccc2C(=O)N1[O-]
InChIInChI=1S/C10H10NO2/c1-10(2)8-6-4-3-5-7(8)9(12)11(10)13/h3-6H,1-2H3/q-1
InChIKeyINJTZOZCIFABFO-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.88
Rot. Bonds

About 3,3-dimethyl-2-oxidoisoindol-1-one

3,3-dimethyl-2-oxidoisoindol-1-one (PubChem CID 172579170) has the molecular formula C10H10NO2- and a molecular weight of 176.20 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxidoisoindol-1-one.

Molecular Properties

Compound Name3,3-dimethyl-2-oxidoisoindol-1-one
PubChem CID172579170
Molecular FormulaC10H10NO2-
Molecular Weight176.20 g/mol
Exact Mass176.07
IUPAC Name3,3-dimethyl-2-oxidoisoindol-1-one
SMILESCC1(C)c2ccccc2C(=O)N1[O-]
InChIInChI=1S/C10H10NO2/c1-10(2)8-6-4-3-5-7(8)9(12)11(10)13/h3-6H,1-2H3/q-1
InChIKeyINJTZOZCIFABFO-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2-oxidoisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione
CID 134103396
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
CID 11195097
1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
CID 144897023
1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
5,6,6-trimethylphenanthridine
CID 153320066
1-(hydroxymethyl)-2-methyl-3-oxoisoindole-1-carboxylic acid
CID 67470150
1-methyl-6,13-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2,4,7,9,11,15,17,19-octaen-14-one
CID 56925856
2-[2-[2-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethylamino]ethyl]-4,4-dimethylisoquinoline-1,3-dione
CID 21428619
2'-(deuteriomethyl)spiro[cyclopropane-1,3'-isoindole]-1'-one
CID 175898513
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxidoisoindol-1-one?
The IUPAC name of 3,3-dimethyl-2-oxidoisoindol-1-one (CID 172579170) is 3,3-dimethyl-2-oxidoisoindol-1-one.
What is the SMILES notation for 3,3-dimethyl-2-oxidoisoindol-1-one?
The canonical SMILES for 3,3-dimethyl-2-oxidoisoindol-1-one is CC1(C)c2ccccc2C(=O)N1[O-].
What is the InChIKey of 3,3-dimethyl-2-oxidoisoindol-1-one?
The InChIKey is INJTZOZCIFABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO2/c1-10(2)8-6-4-3-5-7(8)9(12)11(10)13/h3-6H,1-2H3/q-1.
What are the key properties of 3,3-dimethyl-2-oxidoisoindol-1-one?
3,3-dimethyl-2-oxidoisoindol-1-one has a molecular weight of 176.20 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxidoisoindol-1-one is sourced from PubChem (CID 172579170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).