2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid

C13H15NO2 — CID 175098994

IUPAC2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid
SMILESCC1C(N(C)C)=C(C(=O)O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-8-9-6-4-5-7-10(9)11(13(15)16)12(8)14(2)3/h4-8H,1-3H3,(H,15,16)
InChIKeyGEEAPMNCJUVZHR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.16
Rot. Bonds2

About 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid

2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid (PubChem CID 175098994) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid
PubChem CID175098994
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid
SMILESCC1C(N(C)C)=C(C(=O)O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-8-9-6-4-5-7-10(9)11(13(15)16)12(8)14(2)3/h4-8H,1-3H3,(H,15,16)
InChIKeyGEEAPMNCJUVZHR-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid (CID 175098994) is 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid is CC1C(N(C)C)=C(C(=O)O)c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid?
The InChIKey is GEEAPMNCJUVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-9-6-4-5-7-10(9)11(13(15)16)12(8)14(2)3/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid?
2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-3H-indene-1-carboxylic acid is sourced from PubChem (CID 175098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).