1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one

C24H26N2O4 — CID 59352565

IUPAC1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(C[C@H]2CCCO2)c2ccccc2C12COc1cc(O[C@@H]3CCNC3)ccc12
InChIInChI=1S/C24H26N2O4/c27-23-24(19-5-1-2-6-21(19)26(23)14-18-4-3-11-28-18)15-29-22-12-16(7-8-20(22)24)30-17-9-10-25-13-17/h1-2,5-8,12,17-18,25H,3-4,9-11,13-15H2/t17-,18-,24?/m1/s1
InChIKeyWFXKDFAGIDZMTH-HPGOHTHCSA-N
MW406.48 g/mol
LogP2.63
Rot. Bonds4

About 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one

1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352565) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352565
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(C[C@H]2CCCO2)c2ccccc2C12COc1cc(O[C@@H]3CCNC3)ccc12
InChIInChI=1S/C24H26N2O4/c27-23-24(19-5-1-2-6-21(19)26(23)14-18-4-3-11-28-18)15-29-22-12-16(7-8-20(22)24)30-17-9-10-25-13-17/h1-2,5-8,12,17-18,25H,3-4,9-11,13-15H2/t17-,18-,24?/m1/s1
InChIKeyWFXKDFAGIDZMTH-HPGOHTHCSA-N
XLogP2.63
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352565) is 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one is O=C1N(C[C@H]2CCCO2)c2ccccc2C12COc1cc(O[C@@H]3CCNC3)ccc12.
What is the InChIKey of 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is WFXKDFAGIDZMTH-HPGOHTHCSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-23-24(19-5-1-2-6-21(19)26(23)14-18-4-3-11-28-18)15-29-22-12-16(7-8-20(22)24)30-17-9-10-25-13-17/h1-2,5-8,12,17-18,25H,3-4,9-11,13-15H2/t17-,18-,24?/m1/s1.
What are the key properties of 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one?
1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 406.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).