spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione

C11H9NO4 — CID 13014158

IUPACspiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
SMILESO=C1NC(=O)C2(CCOc3ccccc32)O1
InChIInChI=1S/C11H9NO4/c13-9-11(16-10(14)12-9)5-6-15-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13,14)
InChIKeyPMNDYZJDVPWROM-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.93
Rot. Bonds

About spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione

spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione (PubChem CID 13014158) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione.

Molecular Properties

Compound Namespiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
PubChem CID13014158
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Namespiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione
SMILESO=C1NC(=O)C2(CCOc3ccccc32)O1
InChIInChI=1S/C11H9NO4/c13-9-11(16-10(14)12-9)5-6-15-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13,14)
InChIKeyPMNDYZJDVPWROM-UHFFFAOYSA-N
XLogP0.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione?
The IUPAC name of spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione (CID 13014158) is spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione.
What is the SMILES notation for spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione?
The canonical SMILES for spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione is O=C1NC(=O)C2(CCOc3ccccc32)O1.
What is the InChIKey of spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione?
The InChIKey is PMNDYZJDVPWROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-11(16-10(14)12-9)5-6-15-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13,14).
What are the key properties of spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione?
spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-oxazolidine-5,4'-2,3-dihydrochromene]-2,4-dione is sourced from PubChem (CID 13014158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).