spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione

C12H11NO3 — CID 13053010

IUPACspiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)O1
InChIInChI=1S/C12H11NO3/c14-10-12(16-11(15)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,13,14,15)
InChIKeySOKLCOPCKATUMT-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.48
Rot. Bonds

About spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione

spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione (PubChem CID 13053010) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione.

Molecular Properties

Compound Namespiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione
PubChem CID13053010
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namespiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione
SMILESO=C1NC(=O)C2(CCCc3ccccc32)O1
InChIInChI=1S/C12H11NO3/c14-10-12(16-11(15)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,13,14,15)
InChIKeySOKLCOPCKATUMT-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione?
The IUPAC name of spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione (CID 13053010) is spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione.
What is the SMILES notation for spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione?
The canonical SMILES for spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione is O=C1NC(=O)C2(CCCc3ccccc32)O1.
What is the InChIKey of spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione?
The InChIKey is SOKLCOPCKATUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-10-12(16-11(15)13-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H,13,14,15).
What are the key properties of spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione?
spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione has a molecular weight of 217.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2,4-dione is sourced from PubChem (CID 13053010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).