spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one

C18H15NO4 — CID 123384679

IUPACspiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2C12CCOc1cc3c(cc12)OCCO3
InChIInChI=1S/C18H15NO4/c20-17-18(11-3-1-2-4-13(11)19-17)5-6-21-14-10-16-15(9-12(14)18)22-7-8-23-16/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeySNKKYYWOAPDVML-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.48
Rot. Bonds

About spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one

spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one (PubChem CID 123384679) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one.

Molecular Properties

Compound Namespiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
PubChem CID123384679
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namespiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one
SMILESO=C1Nc2ccccc2C12CCOc1cc3c(cc12)OCCO3
InChIInChI=1S/C18H15NO4/c20-17-18(11-3-1-2-4-13(11)19-17)5-6-21-14-10-16-15(9-12(14)18)22-7-8-23-16/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeySNKKYYWOAPDVML-UHFFFAOYSA-N
XLogP2.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one?
The IUPAC name of spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one (CID 123384679) is spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one.
What is the SMILES notation for spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one?
The canonical SMILES for spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one is O=C1Nc2ccccc2C12CCOc1cc3c(cc12)OCCO3.
What is the InChIKey of spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one?
The InChIKey is SNKKYYWOAPDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17-18(11-3-1-2-4-13(11)19-17)5-6-21-14-10-16-15(9-12(14)18)22-7-8-23-16/h1-4,9-10H,5-8H2,(H,19,20).
What are the key properties of spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one?
spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-3,9'-2,3,7,8-tetrahydropyrano[2,3-g][1,4]benzodioxine]-2-one is sourced from PubChem (CID 123384679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).