2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C24H18N2O3 — CID 101049937

IUPAC2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N2O3/c27-20(15-25-23(28)18-13-7-8-14-19(18)24(25)29)26-21(16-9-3-1-4-10-16)22(26)17-11-5-2-6-12-17/h1-14,21-22H,15H2/t21-,22-/m0/s1
InChIKeyIJEHAZWOYFPPHS-VXKWHMMOSA-N
MW382.42 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 101049937) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID101049937
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(=O)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N2O3/c27-20(15-25-23(28)18-13-7-8-14-19(18)24(25)29)26-21(16-9-3-1-4-10-16)22(26)17-11-5-2-6-12-17/h1-14,21-22H,15H2/t21-,22-/m0/s1
InChIKeyIJEHAZWOYFPPHS-VXKWHMMOSA-N
XLogP3.61
TPSA57.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.61
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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Related Compounds

2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
2-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 120749314
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-oxoethyl]isoindole-1,3-dione
CID 121191951
2-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110871977
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038
2-[2-(1-benzyl-2-oxo-4-phenyl-3,4-dihydro-1,5-benzodiazepin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18940622
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 101049937) is 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(=O)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is IJEHAZWOYFPPHS-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-20(15-25-23(28)18-13-7-8-14-19(18)24(25)29)26-21(16-9-3-1-4-10-16)22(26)17-11-5-2-6-12-17/h1-14,21-22H,15H2/t21-,22-/m0/s1.
What are the key properties of 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 382.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 101049937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).