3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid

C11H13NO2 — CID 174563030

IUPAC3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1C(C)CN2
InChIInChI=1S/C11H13NO2/c1-6-3-8(11(13)14)4-9-10(6)7(2)5-12-9/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyYTAAOCOGGSZYCT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.22
Rot. Bonds1

About 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid

3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid (PubChem CID 174563030) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid
PubChem CID174563030
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1C(C)CN2
InChIInChI=1S/C11H13NO2/c1-6-3-8(11(13)14)4-9-10(6)7(2)5-12-9/h3-4,7,12H,5H2,1-2H3,(H,13,14)
InChIKeyYTAAOCOGGSZYCT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82790802
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3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
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4-(4-carboxy-2,6-dimethylphenoxy)-3,5-dimethylbenzoic acid
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4-[(3aS,4S,9bR)-8-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]-3,5-dimethylbenzoic acid
CID 71767442
8-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 11106499
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid
CID 162046863
3-iodo-4,5-dimethylbenzoic acid
CID 81431069
CID 88981882
CID 88981882
methyl 3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098831
methyl 3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098763

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The IUPAC name of 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid (CID 174563030) is 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The canonical SMILES for 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid is Cc1cc(C(=O)O)cc2c1C(C)CN2.
What is the InChIKey of 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid?
The InChIKey is YTAAOCOGGSZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-3-8(11(13)14)4-9-10(6)7(2)5-12-9/h3-4,7,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid?
3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 174563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).