2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione

C13H10N2O5 — CID 175293844

IUPAC2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(Cc1noc(=O)o1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O5/c1-7(6-10-14-20-13(18)19-10)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,7H,6H2,1H3
InChIKeyPEIBOEHGIZPHRJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.86
Rot. Bonds3

About 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione

2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 175293844) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione
PubChem CID175293844
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(Cc1noc(=O)o1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O5/c1-7(6-10-14-20-13(18)19-10)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,7H,6H2,1H3
InChIKeyPEIBOEHGIZPHRJ-UHFFFAOYSA-N
XLogP0.86
TPSA93.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
CID 163871249
CID 163871249
methyl (3R)-3-(1,3-dioxoisoindol-2-yl)butanoate
CID 96582705
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
1-(3,4-dimethoxyphenyl)propan-2-amine;2-[1-(3,4-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
CID 159156750
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[3-methylsulfonyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]isoindole-1,3-dione
CID 91811089
2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione
CID 10388968
2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione
CID 102103209

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione (CID 175293844) is 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione is CC(Cc1noc(=O)o1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is PEIBOEHGIZPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-7(6-10-14-20-13(18)19-10)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,7H,6H2,1H3.
What are the key properties of 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione?
2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 274.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-oxo-1,4,2-dioxazol-3-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 175293844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).