1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

C17H15NO2 — CID 59352101

IUPAC1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-18-14-9-5-3-7-12(14)17(16(18)19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11H2,1H3
InChIKeyVVIYVVYJAWCFLK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.73
Rot. Bonds1

About 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one

1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352101) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352101
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCCN1C(=O)C2(COc3ccccc32)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-2-18-14-9-5-3-7-12(14)17(16(18)19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11H2,1H3
InChIKeyVVIYVVYJAWCFLK-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352101) is 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is CCN1C(=O)C2(COc3ccccc32)c2ccccc21.
What is the InChIKey of 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is VVIYVVYJAWCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-18-14-9-5-3-7-12(14)17(16(18)19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11H2,1H3.
What are the key properties of 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 265.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).