(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]

C11H12BrNO2 — CID 175818082

IUPAC(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
SMILES[2H][C@H]1NC2(CCOc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H12BrNO2/c12-8-1-2-9-10(5-8)15-4-3-11(9)6-14-7-13-11/h1-2,5,13H,3-4,6-7H2/i7D/t7-,11?/m0/s1
InChIKeyAPAAUITXFBHEIP-JTJSFSOHSA-N
MW271.13 g/mol
LogP2.00
Rot. Bonds

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

(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] (PubChem CID 175818082) has the molecular formula C11H12BrNO2 and a molecular weight of 271.13 g/mol. Its IUPAC name is (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene].

Molecular Properties

Compound Name(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
PubChem CID175818082
Molecular FormulaC11H12BrNO2
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
SMILES[2H][C@H]1NC2(CCOc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H12BrNO2/c12-8-1-2-9-10(5-8)15-4-3-11(9)6-14-7-13-11/h1-2,5,13H,3-4,6-7H2/i7D/t7-,11?/m0/s1
InChIKeyAPAAUITXFBHEIP-JTJSFSOHSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The IUPAC name of (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] (CID 175818082) is (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene].
What is the SMILES notation for (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The canonical SMILES for (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] is [2H][C@H]1NC2(CCOc3cc(Br)ccc32)CO1.
What is the InChIKey of (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The InChIKey is APAAUITXFBHEIP-JTJSFSOHSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-1-2-9-10(5-8)15-4-3-11(9)6-14-7-13-11/h1-2,5,13H,3-4,6-7H2/i7D/t7-,11?/m0/s1.
What are the key properties of (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
(2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] has a molecular weight of 271.13 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7'-bromo-2-deuteriospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] is sourced from PubChem (CID 175818082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).