2-ethylisoindole-1,3-dione;2-methyloxirane

C13H15NO3 — CID 160821291

IUPAC2-ethylisoindole-1,3-dione;2-methyloxirane
SMILESCC1CO1.CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2.C3H6O/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-3-2-4-3/h3-6H,2H2,1H3;3H,2H2,1H3
InChIKeySFOVNPMWEOPRDY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.71
Rot. Bonds1

About 2-ethylisoindole-1,3-dione;2-methyloxirane

2-ethylisoindole-1,3-dione;2-methyloxirane (PubChem CID 160821291) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethylisoindole-1,3-dione;2-methyloxirane.

Molecular Properties

Compound Name2-ethylisoindole-1,3-dione;2-methyloxirane
PubChem CID160821291
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-ethylisoindole-1,3-dione;2-methyloxirane
SMILESCC1CO1.CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2.C3H6O/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-3-2-4-3/h3-6H,2H2,1H3;3H,2H2,1H3
InChIKeySFOVNPMWEOPRDY-UHFFFAOYSA-N
XLogP1.71
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.71
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

ethane;bis(2-ethylisoindole-1,3-dione);bis(1-ethylpyrrole-2,5-dione);propane
CID 165095796
2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione
CID 6922378
13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58709206
2-[4-(oxiran-2-yl)butyl]isoindole-1,3-dione
CID 15410507
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 160765942
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
ethane;2-(2-methyl-1,3-dioxan-5-yl)isoindole-1,3-dione
CID 176963407
2-[(4-oxooxan-3-yl)methyl]isoindole-1,3-dione
CID 82277834
(2S)-3-ethyl-2-methyl-2H-1,3-benzoxazin-4-one
CID 125490718
2-[[(2R,3R,14S,15R)-3,14,15-tris[(1,3-dioxoisoindol-2-yl)methyl]-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl]methyl]isoindole-1,3-dione
CID 99693408

Frequently Asked Questions

What is the IUPAC name of 2-ethylisoindole-1,3-dione;2-methyloxirane?
The IUPAC name of 2-ethylisoindole-1,3-dione;2-methyloxirane (CID 160821291) is 2-ethylisoindole-1,3-dione;2-methyloxirane.
What is the SMILES notation for 2-ethylisoindole-1,3-dione;2-methyloxirane?
The canonical SMILES for 2-ethylisoindole-1,3-dione;2-methyloxirane is CC1CO1.CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-ethylisoindole-1,3-dione;2-methyloxirane?
The InChIKey is SFOVNPMWEOPRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C3H6O/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13;1-3-2-4-3/h3-6H,2H2,1H3;3H,2H2,1H3.
What are the key properties of 2-ethylisoindole-1,3-dione;2-methyloxirane?
2-ethylisoindole-1,3-dione;2-methyloxirane has a molecular weight of 233.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylisoindole-1,3-dione;2-methyloxirane is sourced from PubChem (CID 160821291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).