1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride

C12H16ClNO2 — CID 50988473

IUPAC1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
SMILESCN(C)C1(C(=O)O)CCc2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-13(2)12(11(14)15)8-7-9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyCQOGHAZSKGBZPK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.90
Rot. Bonds2

About 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride

1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride (PubChem CID 50988473) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
PubChem CID50988473
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
SMILESCN(C)C1(C(=O)O)CCc2ccccc21.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-13(2)12(11(14)15)8-7-9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyCQOGHAZSKGBZPK-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride (CID 50988473) is 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride is CN(C)C1(C(=O)O)CCc2ccccc21.Cl.
What is the InChIKey of 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride?
The InChIKey is CQOGHAZSKGBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-13(2)12(11(14)15)8-7-9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride?
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 50988473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).