spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]

C16H13NO3 — CID 90858599

IUPACspiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]
SMILESC1=Nc2ccccc2C12COC1=C2C=C2OCOC2C1
InChIInChI=1S/C16H13NO3/c1-2-4-12-10(3-1)16(7-17-12)8-18-13-6-15-14(5-11(13)16)19-9-20-15/h1-5,7,15H,6,8-9H2
InChIKeyRBLZRXJHVHGEPA-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.59
Rot. Bonds

About spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]

spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole] (PubChem CID 90858599) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole].

Molecular Properties

Compound Namespiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]
PubChem CID90858599
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namespiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]
SMILESC1=Nc2ccccc2C12COC1=C2C=C2OCOC2C1
InChIInChI=1S/C16H13NO3/c1-2-4-12-10(3-1)16(7-17-12)8-18-13-6-15-14(5-11(13)16)19-9-20-15/h1-5,7,15H,6,8-9H2
InChIKeyRBLZRXJHVHGEPA-UHFFFAOYSA-N
XLogP2.59
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]?
The IUPAC name of spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole] (CID 90858599) is spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole].
What is the SMILES notation for spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]?
The canonical SMILES for spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole] is C1=Nc2ccccc2C12COC1=C2C=C2OCOC2C1.
What is the InChIKey of spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]?
The InChIKey is RBLZRXJHVHGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-4-12-10(3-1)16(7-17-12)8-18-13-6-15-14(5-11(13)16)19-9-20-15/h1-5,7,15H,6,8-9H2.
What are the key properties of spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole]?
spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole] has a molecular weight of 267.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,6-dihydro-3aH-furo[2,3-f][1,3]benzodioxole-7,3'-indole] is sourced from PubChem (CID 90858599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).