6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride

C11H13ClN2O2 — CID 17389553

IUPAC6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
SMILESCN(C)c1ccc2cc(C(=O)O)[nH]c2c1.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-13(2)8-4-3-7-5-10(11(14)15)12-9(7)6-8;/h3-6,12H,1-2H3,(H,14,15);1H
InChIKeyVPYQWLBHBUWBEA-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.35
Rot. Bonds2

About 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride

6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride (PubChem CID 17389553) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
PubChem CID17389553
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride
SMILESCN(C)c1ccc2cc(C(=O)O)[nH]c2c1.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-13(2)8-4-3-7-5-10(11(14)15)12-9(7)6-8;/h3-6,12H,1-2H3,(H,14,15);1H
InChIKeyVPYQWLBHBUWBEA-UHFFFAOYSA-N
XLogP2.35
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1H-indole-2-carboxylic acid
CID 5172468
6-(dimethylamino)-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556230
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-[(2S)-1-(azepan-1-yl)propan-2-yl]-6-(dimethylamino)-1H-indole-2-carboxamide
CID 92581948
6-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid
CID 39232374
6-sulfamoyl-1H-indole-2-carboxylic acid
CID 66925507
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 55556743
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
6-(2-carboxyethenyl)-1H-indole-2-carboxylic acid
CID 169460952
6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 3548668
6-(4-tert-butylphenyl)-1H-indole-2-carboxylic acid;ethane;propane
CID 142426033

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride (CID 17389553) is 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride is CN(C)c1ccc2cc(C(=O)O)[nH]c2c1.Cl.
What is the InChIKey of 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride?
The InChIKey is VPYQWLBHBUWBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-13(2)8-4-3-7-5-10(11(14)15)12-9(7)6-8;/h3-6,12H,1-2H3,(H,14,15);1H.
What are the key properties of 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride?
6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1H-indole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 17389553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).