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

C21H19NO5 — CID 66642705

IUPAC1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(CC2CCCO2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C21H19NO5/c23-20-21(11-25-17-9-19-18(8-15(17)21)26-12-27-19)14-5-1-2-6-16(14)22(20)10-13-4-3-7-24-13/h1-2,5-6,8-9,13H,3-4,7,10-12H2
InChIKeyXGZKLUXHCVAMQO-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.62
Rot. Bonds2

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

1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 66642705) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID66642705
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(CC2CCCO2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C21H19NO5/c23-20-21(11-25-17-9-19-18(8-15(17)21)26-12-27-19)14-5-1-2-6-16(14)22(20)10-13-4-3-7-24-13/h1-2,5-6,8-9,13H,3-4,7,10-12H2
InChIKeyXGZKLUXHCVAMQO-UHFFFAOYSA-N
XLogP2.62
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 66642705) is 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(CC2CCCO2)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is XGZKLUXHCVAMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c23-20-21(11-25-17-9-19-18(8-15(17)21)26-12-27-19)14-5-1-2-6-16(14)22(20)10-13-4-3-7-24-13/h1-2,5-6,8-9,13H,3-4,7,10-12H2.
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 365.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 66642705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).