6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde

C11H10BrNO3 — CID 175506588

IUPAC6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde
SMILESO=CC1NC2(COc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H10BrNO3/c12-7-1-2-8-9(3-7)15-5-11(8)6-16-10(4-14)13-11/h1-4,10,13H,5-6H2
InChIKeyLMOQIGJIMJGZSG-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.18
Rot. Bonds1

About 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde

6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde (PubChem CID 175506588) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde.

Molecular Properties

Compound Name6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde
PubChem CID175506588
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde
SMILESO=CC1NC2(COc3cc(Br)ccc32)CO1
InChIInChI=1S/C11H10BrNO3/c12-7-1-2-8-9(3-7)15-5-11(8)6-16-10(4-14)13-11/h1-4,10,13H,5-6H2
InChIKeyLMOQIGJIMJGZSG-UHFFFAOYSA-N
XLogP1.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde?
The IUPAC name of 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde (CID 175506588) is 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde.
What is the SMILES notation for 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde?
The canonical SMILES for 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde is O=CC1NC2(COc3cc(Br)ccc32)CO1.
What is the InChIKey of 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde?
The InChIKey is LMOQIGJIMJGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-7-1-2-8-9(3-7)15-5-11(8)6-16-10(4-14)13-11/h1-4,10,13H,5-6H2.
What are the key properties of 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde?
6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde has a molecular weight of 284.11 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-carbaldehyde is sourced from PubChem (CID 175506588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).