3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid

C19H19NO3 — CID 514267

IUPAC3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid
SMILESCn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22)
InChIKeyMYLJUTRJQNTPBA-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.79
Rot. Bonds3

About 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid

3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid (PubChem CID 514267) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid
PubChem CID514267
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid
SMILESCn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22)
InChIKeyMYLJUTRJQNTPBA-UHFFFAOYSA-N
XLogP4.79
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid (CID 514267) is 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid is Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid?
The InChIKey is MYLJUTRJQNTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22).
What are the key properties of 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid?
3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid is sourced from PubChem (CID 514267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).