1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one

C17H15NO4 — CID 86716866

IUPAC1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
SMILESCCc1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21O
InChIInChI=1S/C17H15NO4/c1-2-9-6-7-10-13(8-9)22-17(21)11-4-3-5-12(18)14(11)15(19)16(10,17)20/h3-8,20-21H,2,18H2,1H3
InChIKeyWTIGGYFXOBONOT-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.45
Rot. Bonds1

About 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one

1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one (PubChem CID 86716866) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
PubChem CID86716866
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
SMILESCCc1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21O
InChIInChI=1S/C17H15NO4/c1-2-9-6-7-10-13(8-9)22-17(21)11-4-3-5-12(18)14(11)15(19)16(10,17)20/h3-8,20-21H,2,18H2,1H3
InChIKeyWTIGGYFXOBONOT-UHFFFAOYSA-N
XLogP1.45
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one (CID 86716866) is 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one is CCc1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21O.
What is the InChIKey of 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is WTIGGYFXOBONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-9-6-7-10-13(8-9)22-17(21)11-4-3-5-12(18)14(11)15(19)16(10,17)20/h3-8,20-21H,2,18H2,1H3.
What are the key properties of 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 297.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 86716866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).