2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione

C20H17NO4 — CID 10568796

IUPAC2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione
SMILESO=C1CC[C@@H]([C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C20H17NO4/c22-18-11-10-17(25-18)16(12-13-6-2-1-3-7-13)21-19(23)14-8-4-5-9-15(14)20(21)24/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyAOCDGPDBPAMAEP-IRXDYDNUSA-N
MW335.36 g/mol
LogP2.60
Rot. Bonds4

About 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione

2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione (PubChem CID 10568796) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione
PubChem CID10568796
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione
SMILESO=C1CC[C@@H]([C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C20H17NO4/c22-18-11-10-17(25-18)16(12-13-6-2-1-3-7-13)21-19(23)14-8-4-5-9-15(14)20(21)24/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyAOCDGPDBPAMAEP-IRXDYDNUSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
CID 11572698
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
2-[5-(1,3-dioxolan-2-yl)-3-oxo-1-phenylpentan-2-yl]isoindole-1,3-dione
CID 12854247

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione (CID 10568796) is 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione is O=C1CC[C@@H]([C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione?
The InChIKey is AOCDGPDBPAMAEP-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H17NO4/c22-18-11-10-17(25-18)16(12-13-6-2-1-3-7-13)21-19(23)14-8-4-5-9-15(14)20(21)24/h1-9,16-17H,10-12H2/t16-,17-/m0/s1.
What are the key properties of 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione?
2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione has a molecular weight of 335.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylethyl]isoindole-1,3-dione is sourced from PubChem (CID 10568796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).