spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one

C17H13NO4 — CID 90146106

IUPACspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2C12Cc1ccc3c(c1O2)OCCO3
InChIInChI=1S/C17H13NO4/c19-16-17(11-3-1-2-4-12(11)18-16)9-10-5-6-13-15(14(10)22-17)21-8-7-20-13/h1-6H,7-9H2,(H,18,19)
InChIKeyOTCZYFKYCVNNAY-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.24
Rot. Bonds

About spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one

spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one (PubChem CID 90146106) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one
PubChem CID90146106
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Namespiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2C12Cc1ccc3c(c1O2)OCCO3
InChIInChI=1S/C17H13NO4/c19-16-17(11-3-1-2-4-12(11)18-16)9-10-5-6-13-15(14(10)22-17)21-8-7-20-13/h1-6H,7-9H2,(H,18,19)
InChIKeyOTCZYFKYCVNNAY-UHFFFAOYSA-N
XLogP2.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one?
The IUPAC name of spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one (CID 90146106) is spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one.
What is the SMILES notation for spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one?
The canonical SMILES for spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one is O=C1Nc2ccccc2C12Cc1ccc3c(c1O2)OCCO3.
What is the InChIKey of spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one?
The InChIKey is OTCZYFKYCVNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-16-17(11-3-1-2-4-12(11)18-16)9-10-5-6-13-15(14(10)22-17)21-8-7-20-13/h1-6H,7-9H2,(H,18,19).
What are the key properties of spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one?
spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one has a molecular weight of 295.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one is sourced from PubChem (CID 90146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).