3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

C11H15NO2 — CID 83818294

IUPAC3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2c1CCCC2
InChIInChI=1S/C11H15NO2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11(13)14/h12H,2-6H2,1H3,(H,13,14)
InChIKeyAQVJVYLUWONRHP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.15
Rot. Bonds2

About 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (PubChem CID 83818294) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
PubChem CID83818294
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2c1CCCC2
InChIInChI=1S/C11H15NO2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11(13)14/h12H,2-6H2,1H3,(H,13,14)
InChIKeyAQVJVYLUWONRHP-UHFFFAOYSA-N
XLogP2.15
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (CID 83818294) is 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid is CCc1c(C(=O)O)[nH]c2c1CCCC2.
What is the InChIKey of 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
The InChIKey is AQVJVYLUWONRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-7-8-5-3-4-6-9(8)12-10(7)11(13)14/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid?
3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83818294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).