2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile

C23H20N2O4 — CID 68599531

IUPAC2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile
SMILESN#Cc1cccc2c1C1(COc3cc4c(cc31)CCO4)C(=O)N2C[C@H]1CCCO1
InChIInChI=1S/C23H20N2O4/c24-11-15-3-1-5-18-21(15)23(22(26)25(18)12-16-4-2-7-27-16)13-29-20-10-19-14(6-8-28-19)9-17(20)23/h1,3,5,9-10,16H,2,4,6-8,12-13H2/t16-,23?/m1/s1
InChIKeyXYTAMOFICBUHEV-ADRQNKRLSA-N
MW388.42 g/mol
LogP2.70
Rot. Bonds2

About 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile

2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile (PubChem CID 68599531) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile.

Molecular Properties

Compound Name2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile
PubChem CID68599531
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile
SMILESN#Cc1cccc2c1C1(COc3cc4c(cc31)CCO4)C(=O)N2C[C@H]1CCCO1
InChIInChI=1S/C23H20N2O4/c24-11-15-3-1-5-18-21(15)23(22(26)25(18)12-16-4-2-7-27-16)13-29-20-10-19-14(6-8-28-19)9-17(20)23/h1,3,5,9-10,16H,2,4,6-8,12-13H2/t16-,23?/m1/s1
InChIKeyXYTAMOFICBUHEV-ADRQNKRLSA-N
XLogP2.70
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile?
The IUPAC name of 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile (CID 68599531) is 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile.
What is the SMILES notation for 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile?
The canonical SMILES for 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile is N#Cc1cccc2c1C1(COc3cc4c(cc31)CCO4)C(=O)N2C[C@H]1CCCO1.
What is the InChIKey of 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile?
The InChIKey is XYTAMOFICBUHEV-ADRQNKRLSA-N. The full InChI is InChI=1S/C23H20N2O4/c24-11-15-3-1-5-18-21(15)23(22(26)25(18)12-16-4-2-7-27-16)13-29-20-10-19-14(6-8-28-19)9-17(20)23/h1,3,5,9-10,16H,2,4,6-8,12-13H2/t16-,23?/m1/s1.
What are the key properties of 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile?
2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile has a molecular weight of 388.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbonitrile is sourced from PubChem (CID 68599531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).