(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one

C11H10BrNO3 — CID 166499743

IUPAC(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H10BrNO3/c12-7-1-2-8-9(5-7)15-4-3-11(8)6-16-10(14)13-11/h1-2,5H,3-4,6H2,(H,13,14)/t11-/m1/s1
InChIKeyGXRFYKHGEYLFIO-LLVKDONJSA-N
MW284.11 g/mol
LogP2.17
Rot. Bonds

About (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one

(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (PubChem CID 166499743) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
PubChem CID166499743
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H10BrNO3/c12-7-1-2-8-9(5-7)15-4-3-11(8)6-16-10(14)13-11/h1-2,5H,3-4,6H2,(H,13,14)/t11-/m1/s1
InChIKeyGXRFYKHGEYLFIO-LLVKDONJSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (CID 166499743) is (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one is O=C1N[C@]2(CCOc3cc(Br)ccc32)CO1.
What is the InChIKey of (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The InChIKey is GXRFYKHGEYLFIO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-7-1-2-8-9(5-7)15-4-3-11(8)6-16-10(14)13-11/h1-2,5H,3-4,6H2,(H,13,14)/t11-/m1/s1.
What are the key properties of (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
(4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one has a molecular weight of 284.11 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-bromospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 166499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).