2-(3-methylazetidin-3-yl)isoindole-1,3-dione

C12H12N2O2 — CID 131014758

IUPAC2-(3-methylazetidin-3-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3ccccc3C2=O)CNC1
InChIInChI=1S/C12H12N2O2/c1-12(6-13-7-12)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,13H,6-7H2,1H3
InChIKeyOWIZCFMTSPDWQI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.64
Rot. Bonds1

About 2-(3-methylazetidin-3-yl)isoindole-1,3-dione

2-(3-methylazetidin-3-yl)isoindole-1,3-dione (PubChem CID 131014758) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)isoindole-1,3-dione
PubChem CID131014758
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(3-methylazetidin-3-yl)isoindole-1,3-dione
SMILESCC1(N2C(=O)c3ccccc3C2=O)CNC1
InChIInChI=1S/C12H12N2O2/c1-12(6-13-7-12)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,13H,6-7H2,1H3
InChIKeyOWIZCFMTSPDWQI-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
2-[(5R,7R)-3-(1-methylcyclopropyl)-1-adamantyl]isoindole-1,3-dione
CID 98055762
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083
2-methylisoindole-1,3-dione;piperidine
CID 153376535
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 130706522
2-(3-fluoro-5,7-dimethyl-1-adamantyl)isoindole-1,3-dione
CID 129270305
2-(1-sulfanylcyclohexyl)isoindole-1,3-dione
CID 88768077
(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
2-(2-methyl-2-trimethylsilylcyclopropyl)isoindole-1,3-dione
CID 90361347

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-methylazetidin-3-yl)isoindole-1,3-dione (CID 131014758) is 2-(3-methylazetidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-methylazetidin-3-yl)isoindole-1,3-dione is CC1(N2C(=O)c3ccccc3C2=O)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)isoindole-1,3-dione?
The InChIKey is OWIZCFMTSPDWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-12(6-13-7-12)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-(3-methylazetidin-3-yl)isoindole-1,3-dione?
2-(3-methylazetidin-3-yl)isoindole-1,3-dione has a molecular weight of 216.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 131014758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).