spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one

C17H13NO3 — CID 59263354

IUPACspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C17H13NO3/c19-16-17(11-3-1-2-4-13(11)18-16)9-21-15-8-14-10(5-6-20-14)7-12(15)17/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyMIQGKGGOLHGWIM-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.25
Rot. Bonds

About spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one

spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one (PubChem CID 59263354) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
PubChem CID59263354
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Namespiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
SMILESO=C1Nc2ccccc2C12COc1cc3c(cc12)CCO3
InChIInChI=1S/C17H13NO3/c19-16-17(11-3-1-2-4-13(11)18-16)9-21-15-8-14-10(5-6-20-14)7-12(15)17/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyMIQGKGGOLHGWIM-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The IUPAC name of spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one (CID 59263354) is spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one.
What is the SMILES notation for spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The canonical SMILES for spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one is O=C1Nc2ccccc2C12COc1cc3c(cc12)CCO3.
What is the InChIKey of spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The InChIKey is MIQGKGGOLHGWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-17(11-3-1-2-4-13(11)18-16)9-21-15-8-14-10(5-6-20-14)7-12(15)17/h1-4,7-8H,5-6,9H2,(H,18,19).
What are the key properties of spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one has a molecular weight of 279.29 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one is sourced from PubChem (CID 59263354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).