1-ethyl-4-methylindole-2-carboxylic acid

C12H13NO2 — CID 53408213

IUPAC1-ethyl-4-methylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2c(C)cccc21
InChIInChI=1S/C12H13NO2/c1-3-13-10-6-4-5-8(2)9(10)7-11(13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMHJADBJNRMTDHI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.67
Rot. Bonds2

About 1-ethyl-4-methylindole-2-carboxylic acid

1-ethyl-4-methylindole-2-carboxylic acid (PubChem CID 53408213) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-4-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methylindole-2-carboxylic acid
PubChem CID53408213
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-4-methylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2c(C)cccc21
InChIInChI=1S/C12H13NO2/c1-3-13-10-6-4-5-8(2)9(10)7-11(13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyMHJADBJNRMTDHI-UHFFFAOYSA-N
XLogP2.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylindole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-methylindole-2-carboxylic acid (CID 53408213) is 1-ethyl-4-methylindole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methylindole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methylindole-2-carboxylic acid is CCn1c(C(=O)O)cc2c(C)cccc21.
What is the InChIKey of 1-ethyl-4-methylindole-2-carboxylic acid?
The InChIKey is MHJADBJNRMTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-10-6-4-5-8(2)9(10)7-11(13)12(14)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-4-methylindole-2-carboxylic acid?
1-ethyl-4-methylindole-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylindole-2-carboxylic acid is sourced from PubChem (CID 53408213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).