3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione

C13H13NO3 — CID 134103396

IUPAC3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione
SMILESCC1(C)C(=O)OC2(C)c3ccccc3C(=O)N12
InChIInChI=1S/C13H13NO3/c1-12(2)11(16)17-13(3)9-7-5-4-6-8(9)10(15)14(12)13/h4-7H,1-3H3
InChIKeyRMOQYJDVDUGLHG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds

About 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione

3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione (PubChem CID 134103396) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione.

Molecular Properties

Compound Name3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione
PubChem CID134103396
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione
SMILESCC1(C)C(=O)OC2(C)c3ccccc3C(=O)N12
InChIInChI=1S/C13H13NO3/c1-12(2)11(16)17-13(3)9-7-5-4-6-8(9)10(15)14(12)13/h4-7H,1-3H3
InChIKeyRMOQYJDVDUGLHG-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione 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

9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
CID 134110005
3,3-dimethyl-2-oxidoisoindol-1-one
CID 172579170
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
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
9b-(2,2-dimethylpropanoyl)-3,3-dimethyl-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 10803206
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
CID 11195097
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one
CID 10849567
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147

Frequently Asked Questions

What is the IUPAC name of 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione?
The IUPAC name of 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione (CID 134103396) is 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione.
What is the SMILES notation for 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione?
The canonical SMILES for 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione is CC1(C)C(=O)OC2(C)c3ccccc3C(=O)N12.
What is the InChIKey of 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione?
The InChIKey is RMOQYJDVDUGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-12(2)11(16)17-13(3)9-7-5-4-6-8(9)10(15)14(12)13/h4-7H,1-3H3.
What are the key properties of 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione?
3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione is sourced from PubChem (CID 134103396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).