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

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Related Compounds

2-amino-2-(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 83860435
3,4,7,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 84618795
7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860242
(6,7-dimethyl-2,3-dihydro-1H-indol-3-yl)methanamine
CID 83860250
8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82276220
7-chloro-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxylic acid
CID 115035223
16,17-dihydroxy-6,13-dimethyl-8,11-diazatricyclo[10.3.1.13,7]heptadeca-1(16),3(17),4,6,12,14-hexaene-2-carboxylic acid
CID 69304138
5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carboxylic acid
CID 84635673
3,7,8-trimethyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84626312
3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 105431846
(3aR,4S,9bS)-6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
CID 11870759
5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840191

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).