1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid

C12H15NO2 — CID 83861050

IUPAC1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C)c2c(c1)N(C)CC2C(=O)O
InChIInChI=1S/C12H15NO2/c1-7-4-8(2)11-9(12(14)15)6-13(3)10(11)5-7/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyFGKWPOXAQSKGEQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds1

About 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid

1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid (PubChem CID 83861050) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid
PubChem CID83861050
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C)c2c(c1)N(C)CC2C(=O)O
InChIInChI=1S/C12H15NO2/c1-7-4-8(2)11-9(12(14)15)6-13(3)10(11)5-7/h4-5,9H,6H2,1-3H3,(H,14,15)
InChIKeyFGKWPOXAQSKGEQ-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid (CID 83861050) is 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C)c2c(c1)N(C)CC2C(=O)O.
What is the InChIKey of 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is FGKWPOXAQSKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-8(2)11-9(12(14)15)6-13(3)10(11)5-7/h4-5,9H,6H2,1-3H3,(H,14,15).
What are the key properties of 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid?
1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 83861050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).