6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid

C11H13NO2 — CID 83860241

IUPAC6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCc1ccc2c(c1C)NCC2C(=O)O
InChIInChI=1S/C11H13NO2/c1-6-3-4-8-9(11(13)14)5-12-10(8)7(6)2/h3-4,9,12H,5H2,1-2H3,(H,13,14)
InChIKeyIOEIERAGRMNJFD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.90
Rot. Bonds1

About 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid

6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid (PubChem CID 83860241) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid
PubChem CID83860241
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid
SMILESCc1ccc2c(c1C)NCC2C(=O)O
InChIInChI=1S/C11H13NO2/c1-6-3-4-8-9(11(13)14)5-12-10(8)7(6)2/h3-4,9,12H,5H2,1-2H3,(H,13,14)
InChIKeyIOEIERAGRMNJFD-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid?
The IUPAC name of 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid (CID 83860241) is 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid is Cc1ccc2c(c1C)NCC2C(=O)O.
What is the InChIKey of 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid?
The InChIKey is IOEIERAGRMNJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-3-4-8-9(11(13)14)5-12-10(8)7(6)2/h3-4,9,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid?
6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3-dihydro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 83860241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).