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

C21H18N2O4 — CID 67356544

IUPAC6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
SMILESN#Cc1cc2c(cc1O)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c22-10-13-8-16-19(9-18(13)24)27-12-21(16)15-5-1-2-6-17(15)23(20(21)25)11-14-4-3-7-26-14/h1-2,5-6,8-9,14,24H,3-4,7,11-12H2/t14-,21?/m1/s1
InChIKeyBNTHOPQRAQWYQJ-CKAQCJTGSA-N
MW362.39 g/mol
LogP2.47
Rot. Bonds2

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

6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile (PubChem CID 67356544) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
PubChem CID67356544
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
SMILESN#Cc1cc2c(cc1O)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c22-10-13-8-16-19(9-18(13)24)27-12-21(16)15-5-1-2-6-17(15)23(20(21)25)11-14-4-3-7-26-14/h1-2,5-6,8-9,14,24H,3-4,7,11-12H2/t14-,21?/m1/s1
InChIKeyBNTHOPQRAQWYQJ-CKAQCJTGSA-N
XLogP2.47
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The IUPAC name of 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile (CID 67356544) is 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile is N#Cc1cc2c(cc1O)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The InChIKey is BNTHOPQRAQWYQJ-CKAQCJTGSA-N. The full InChI is InChI=1S/C21H18N2O4/c22-10-13-8-16-19(9-18(13)24)27-12-21(16)15-5-1-2-6-17(15)23(20(21)25)11-14-4-3-7-26-14/h1-2,5-6,8-9,14,24H,3-4,7,11-12H2/t14-,21?/m1/s1.
What are the key properties of 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile is sourced from PubChem (CID 67356544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).