1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid

C11H13NO2 — CID 20744133

IUPAC1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
SMILESCC1CN(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C11H13NO2/c1-7-6-12(2)10-4-3-8(11(13)14)5-9(7)10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyRJWNMQXEKVBUNN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.94
Rot. Bonds1

About 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid

1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid (PubChem CID 20744133) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
PubChem CID20744133
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
SMILESCC1CN(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C11H13NO2/c1-7-6-12(2)10-4-3-8(11(13)14)5-9(7)10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyRJWNMQXEKVBUNN-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2,3-dihydroindole-5-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

Related Compounds

1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
CID 70159553
1-[2-(azepan-1-yl)propanoyl]-3-methyl-2,3-dihydroindole-5-carboxylic acid
CID 166275674
(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
CID 98586131
5-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 58525500
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202959
3-methyl-4-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114537327
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
3-amino-4-(3-methylazetidin-1-yl)benzoic acid
CID 79688779
3-cyano-4-(3,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114063406
5,6-difluoro-1,3-dimethyl-2,3-dihydroindole
CID 58386577

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid (CID 20744133) is 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid is CC1CN(C)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is RJWNMQXEKVBUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-12(2)10-4-3-8(11(13)14)5-9(7)10/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid?
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 20744133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).