2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde

C17H13NO3 — CID 59352677

IUPAC2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
SMILESO=CCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2
InChIKeyWXJCWBQXGKUYCO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.91
Rot. Bonds2

About 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde

2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde (PubChem CID 59352677) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
PubChem CID59352677
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
SMILESO=CCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2
InChIKeyWXJCWBQXGKUYCO-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The IUPAC name of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde (CID 59352677) is 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde.
What is the SMILES notation for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The canonical SMILES for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde is O=CCN1C(=O)C2(COc3ccccc32)c2ccccc21.
What is the InChIKey of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
The InChIKey is WXJCWBQXGKUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-10-9-18-14-7-3-1-5-12(14)17(16(18)20)11-21-15-8-4-2-6-13(15)17/h1-8,10H,9,11H2.
What are the key properties of 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde?
2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde has a molecular weight of 279.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde is sourced from PubChem (CID 59352677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).