6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride

C11H14ClNO3 — CID 139021106

IUPAC6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
SMILESCOc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-6-3-7(15-2)4-9-8(6)5-10(12-9)11(13)14;/h3-4,10,12H,5H2,1-2H3,(H,13,14);1H
InChIKeyIRHAXVWBNJYFJO-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.85
Rot. Bonds2

About 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride

6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride (PubChem CID 139021106) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
PubChem CID139021106
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
SMILESCOc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-6-3-7(15-2)4-9-8(6)5-10(12-9)11(13)14;/h3-4,10,12H,5H2,1-2H3,(H,13,14);1H
InChIKeyIRHAXVWBNJYFJO-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83883117
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 127264904
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84623821
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83901198
6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 84637748
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
1-(3-methoxy-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 4539709

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride (CID 139021106) is 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride is COc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl.
What is the InChIKey of 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
The InChIKey is IRHAXVWBNJYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-6-3-7(15-2)4-9-8(6)5-10(12-9)11(13)14;/h3-4,10,12H,5H2,1-2H3,(H,13,14);1H.
What are the key properties of 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride?
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 139021106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).