2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione

C12H11NO3 — CID 102103209

IUPAC2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione
SMILESCC([C@@H]1CO1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO3/c1-7(10-6-16-10)13-11(14)8-4-2-3-5-9(8)12(13)15/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1
InChIKeyBJELZVMDDQDMFP-MHPPCMCBSA-N
MW217.22 g/mol
LogP1.07
Rot. Bonds2

About 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione

2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 102103209) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione
PubChem CID102103209
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione
SMILESCC([C@@H]1CO1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO3/c1-7(10-6-16-10)13-11(14)8-4-2-3-5-9(8)12(13)15/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1
InChIKeyBJELZVMDDQDMFP-MHPPCMCBSA-N
XLogP1.07
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.07
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'}

Analyze 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-methylidene-2-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enyl]isoindol-1-one
CID 59827291
CID 163871249
CID 163871249
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[1-[9-[1-(oxiran-2-yl)ethyl]fluoren-9-yl]ethyl]oxirane
CID 139994136
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
2-[(1S)-1-[(4S,5S)-4,5-bis[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxolan-2-yl]ethyl]isoindole-1,3-dione
CID 10835873
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-[(2R)-3,3-dimethylpentan-2-yl]isoindole-1,3-dione
CID 134419364
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
sodium 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 19205516

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione (CID 102103209) is 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione is CC([C@@H]1CO1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is BJELZVMDDQDMFP-MHPPCMCBSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(10-6-16-10)13-11(14)8-4-2-3-5-9(8)12(13)15/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1.
What are the key properties of 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione?
2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 217.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-oxiran-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 102103209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).