2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 91666206

IUPAC2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride
SMILESCN1Cc2ccc(C(=O)O)cc2C1.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-11-5-8-3-2-7(10(12)13)4-9(8)6-11;/h2-4H,5-6H2,1H3,(H,12,13);1H
InChIKeyQARHDJSRGZBNNR-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.75
Rot. Bonds1

About 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride

2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride (PubChem CID 91666206) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride
PubChem CID91666206
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride
SMILESCN1Cc2ccc(C(=O)O)cc2C1.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-11-5-8-3-2-7(10(12)13)4-9(8)6-11;/h2-4H,5-6H2,1H3,(H,12,13);1H
InChIKeyQARHDJSRGZBNNR-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride (CID 91666206) is 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride is CN1Cc2ccc(C(=O)O)cc2C1.Cl.
What is the InChIKey of 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride?
The InChIKey is QARHDJSRGZBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-11-5-8-3-2-7(10(12)13)4-9(8)6-11;/h2-4H,5-6H2,1H3,(H,12,13);1H.
What are the key properties of 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride?
2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydroisoindole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 91666206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).