1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C27H19NO4 — CID 66642072

IUPAC1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2cccc3ccccc23)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C27H19NO4/c29-26-27(15-30-23-13-25-24(12-21(23)27)31-16-32-25)20-10-3-4-11-22(20)28(26)14-18-8-5-7-17-6-1-2-9-19(17)18/h1-13H,14-16H2
InChIKeyYISYALOZMMIVDE-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.79
Rot. Bonds2

About 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 66642072) has the molecular formula C27H19NO4 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID66642072
Molecular FormulaC27H19NO4
Molecular Weight421.45 g/mol
Exact Mass421.13
IUPAC Name1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2cccc3ccccc23)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C27H19NO4/c29-26-27(15-30-23-13-25-24(12-21(23)27)31-16-32-25)20-10-3-4-11-22(20)28(26)14-18-8-5-7-17-6-1-2-9-19(17)18/h1-13H,14-16H2
InChIKeyYISYALOZMMIVDE-UHFFFAOYSA-N
XLogP4.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 66642072) is 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(Cc2cccc3ccccc23)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is YISYALOZMMIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO4/c29-26-27(15-30-23-13-25-24(12-21(23)27)31-16-32-25)20-10-3-4-11-22(20)28(26)14-18-8-5-7-17-6-1-2-9-19(17)18/h1-13H,14-16H2.
What are the key properties of 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 421.45 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 66642072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).