ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate

C23H21NO3 — CID 15945573

IUPACethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C23H21NO3/c1-2-27-23(26)22-20(16-11-7-4-8-12-16)21-18(24-22)13-17(14-19(21)25)15-9-5-3-6-10-15/h3-12,17,24H,2,13-14H2,1H3
InChIKeyWCGBEPDRDNMZIB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.77
Rot. Bonds4

About ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate

ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 15945573) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID15945573
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Nameethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C23H21NO3/c1-2-27-23(26)22-20(16-11-7-4-8-12-16)21-18(24-22)13-17(14-19(21)25)15-9-5-3-6-10-15/h3-12,17,24H,2,13-14H2,1H3
InChIKeyWCGBEPDRDNMZIB-UHFFFAOYSA-N
XLogP4.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate (CID 15945573) is ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate is CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)CC(c1ccccc1)C2.
What is the InChIKey of ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is WCGBEPDRDNMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-27-23(26)22-20(16-11-7-4-8-12-16)21-18(24-22)13-17(14-19(21)25)15-9-5-3-6-10-15/h3-12,17,24H,2,13-14H2,1H3.
What are the key properties of ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3,6-diphenyl-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 15945573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).