2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C12H15NO2 — CID 105457500

IUPAC2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C)C1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyUFVUDAGFZIJYRN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds2

About 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 105457500) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID105457500
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN(C)C1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyUFVUDAGFZIJYRN-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 105457500) is 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is CN(C)C1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is UFVUDAGFZIJYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)11-6-8-3-4-9(12(14)15)5-10(8)7-11/h3-5,11H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 105457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).