1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C22H19NO4 — CID 143309442

IUPAC1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(/C=C/CC2CC2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C22H19NO4/c24-21-22(12-25-18-11-20-19(10-16(18)22)26-13-27-20)15-5-1-2-6-17(15)23(21)9-3-4-14-7-8-14/h1-3,5-6,9-11,14H,4,7-8,12-13H2/b9-3+
InChIKeyNVTFZGRWGDALQQ-YCRREMRBSA-N
MW361.40 g/mol
LogP3.75
Rot. Bonds3

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

1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 143309442) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID143309442
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(/C=C/CC2CC2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C22H19NO4/c24-21-22(12-25-18-11-20-19(10-16(18)22)26-13-27-20)15-5-1-2-6-17(15)23(21)9-3-4-14-7-8-14/h1-3,5-6,9-11,14H,4,7-8,12-13H2/b9-3+
InChIKeyNVTFZGRWGDALQQ-YCRREMRBSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 143309442) is 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(/C=C/CC2CC2)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is NVTFZGRWGDALQQ-YCRREMRBSA-N. The full InChI is InChI=1S/C22H19NO4/c24-21-22(12-25-18-11-20-19(10-16(18)22)26-13-27-20)15-5-1-2-6-17(15)23(21)9-3-4-14-7-8-14/h1-3,5-6,9-11,14H,4,7-8,12-13H2/b9-3+.
What are the key properties of 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 361.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(E)-3-cyclopropylprop-1-enyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 143309442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).