3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid

C19H19NO3 — CID 514258

IUPAC3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C19H19NO3/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)
InChIKeyJTBGUPHSMQLZDS-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.17
Rot. Bonds3

About 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid

3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid (PubChem CID 514258) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid
PubChem CID514258
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C19H19NO3/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)
InChIKeyJTBGUPHSMQLZDS-UHFFFAOYSA-N
XLogP5.17
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid (CID 514258) is 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)[nH]c2c1.
What is the InChIKey of 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid?
The InChIKey is JTBGUPHSMQLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22).
What are the key properties of 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid?
3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 514258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).