2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione

C17H12N2O4 — CID 46210542

IUPAC2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione
SMILESO=C1NC(=O)C2(O1)c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H12N2O4/c20-14-12-8-4-5-9-13(12)17(15(21)18-16(22)23-17)19(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21,22)
InChIKeyLKUVODBTJJHLEY-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.76
Rot. Bonds2

About 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione

2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione (PubChem CID 46210542) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione.

Molecular Properties

Compound Name2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione
PubChem CID46210542
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione
SMILESO=C1NC(=O)C2(O1)c1ccccc1C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H12N2O4/c20-14-12-8-4-5-9-13(12)17(15(21)18-16(22)23-17)19(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21,22)
InChIKeyLKUVODBTJJHLEY-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione?
The IUPAC name of 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione (CID 46210542) is 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione.
What is the SMILES notation for 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione?
The canonical SMILES for 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione is O=C1NC(=O)C2(O1)c1ccccc1C(=O)N2Cc1ccccc1.
What is the InChIKey of 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione?
The InChIKey is LKUVODBTJJHLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-14-12-8-4-5-9-13(12)17(15(21)18-16(22)23-17)19(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21,22).
What are the key properties of 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione?
2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione has a molecular weight of 308.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-benzylspiro[1,3-oxazolidine-5,3'-isoindole]-1',2,4-trione is sourced from PubChem (CID 46210542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).