3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid

C25H28N2O4 — CID 46232429

IUPAC3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCCC3)c2c1
InChIInChI=1S/C25H28N2O4/c28-22(26-11-4-5-12-26)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-2-1-3-7-17)24(27)19-10-13-31-16-19/h8-10,13-14,16-17H,1-7,11-12,15H2,(H,29,30)
InChIKeyZUYAEKFDCWHOOR-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.27
Rot. Bonds5

About 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid

3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid (PubChem CID 46232429) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
PubChem CID46232429
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCCC3)c2c1
InChIInChI=1S/C25H28N2O4/c28-22(26-11-4-5-12-26)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-2-1-3-7-17)24(27)19-10-13-31-16-19/h8-10,13-14,16-17H,1-7,11-12,15H2,(H,29,30)
InChIKeyZUYAEKFDCWHOOR-UHFFFAOYSA-N
XLogP5.27
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid (CID 46232429) is 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The InChIKey is ZUYAEKFDCWHOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-22(26-11-4-5-12-26)15-27-21-14-18(25(29)30)8-9-20(21)23(17-6-2-1-3-7-17)24(27)19-10-13-31-16-19/h8-10,13-14,16-17H,1-7,11-12,15H2,(H,29,30).
What are the key properties of 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid has a molecular weight of 420.51 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid is sourced from PubChem (CID 46232429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).