1-ethyl-5-methylindole-3-carboxylic acid

C12H13NO2 — CID 52911028

IUPAC1-ethyl-5-methylindole-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-10(12(14)15)9-6-8(2)4-5-11(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyBCABTXZPELOAAU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.67
Rot. Bonds2

About 1-ethyl-5-methylindole-3-carboxylic acid

1-ethyl-5-methylindole-3-carboxylic acid (PubChem CID 52911028) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-5-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-methylindole-3-carboxylic acid
PubChem CID52911028
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-5-methylindole-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-10(12(14)15)9-6-8(2)4-5-11(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyBCABTXZPELOAAU-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-5-methylindole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-methylindole-3-carboxylic acid (CID 52911028) is 1-ethyl-5-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-methylindole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-methylindole-3-carboxylic acid is CCn1cc(C(=O)O)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methylindole-3-carboxylic acid?
The InChIKey is BCABTXZPELOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-7-10(12(14)15)9-6-8(2)4-5-11(9)13/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-5-methylindole-3-carboxylic acid?
1-ethyl-5-methylindole-3-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-5-methylindole-3-carboxylic acid is sourced from PubChem (CID 52911028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).