2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione

C18H16N2O2 — CID 13275802

IUPAC2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione
SMILESCC1(C)C(c2ccccc2)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O2/c1-18(2)15(12-8-4-3-5-9-12)20(18)19-16(21)13-10-6-7-11-14(13)17(19)22/h3-11,15H,1-2H3
InChIKeyGPHARECMEYPUPJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.03
Rot. Bonds2

About 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione

2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione (PubChem CID 13275802) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione
PubChem CID13275802
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione
SMILESCC1(C)C(c2ccccc2)N1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O2/c1-18(2)15(12-8-4-3-5-9-12)20(18)19-16(21)13-10-6-7-11-14(13)17(19)22/h3-11,15H,1-2H3
InChIKeyGPHARECMEYPUPJ-UHFFFAOYSA-N
XLogP3.03
TPSA40.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione (CID 13275802) is 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione is CC1(C)C(c2ccccc2)N1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione?
The InChIKey is GPHARECMEYPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-18(2)15(12-8-4-3-5-9-12)20(18)19-16(21)13-10-6-7-11-14(13)17(19)22/h3-11,15H,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione?
2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-phenylaziridin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 13275802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).