5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one

C20H20N2O4 — CID 68710093

IUPAC5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
SMILESCOc1cc2c(cn1)OCC21C(=O)N(C[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-24-18-9-15-17(10-21-18)26-12-20(15)14-6-2-3-7-16(14)22(19(20)23)11-13-5-4-8-25-13/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-,20?/m0/s1
InChIKeyZPBJZVCHEDJNGK-SZQRVLIRSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds3

About 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one

5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one (PubChem CID 68710093) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
PubChem CID68710093
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
SMILESCOc1cc2c(cn1)OCC21C(=O)N(C[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-24-18-9-15-17(10-21-18)26-12-20(15)14-6-2-3-7-16(14)22(19(20)23)11-13-5-4-8-25-13/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-,20?/m0/s1
InChIKeyZPBJZVCHEDJNGK-SZQRVLIRSA-N
XLogP2.29
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one (CID 68710093) is 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one is COc1cc2c(cn1)OCC21C(=O)N(C[C@@H]2CCCO2)c2ccccc21.
What is the InChIKey of 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
The InChIKey is ZPBJZVCHEDJNGK-SZQRVLIRSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-18-9-15-17(10-21-18)26-12-20(15)14-6-2-3-7-16(14)22(19(20)23)11-13-5-4-8-25-13/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-,20?/m0/s1.
What are the key properties of 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one?
5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one has a molecular weight of 352.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[[(2S)-oxolan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 68710093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).