1-methyl-2,3-dihydroindene-1-carboxylic acid

C11H12O2 — CID 59860531

IUPAC1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyIJYVZCGPRUQYPX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds1

About 1-methyl-2,3-dihydroindene-1-carboxylic acid

1-methyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 59860531) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID59860531
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2ccccc21
InChIInChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyIJYVZCGPRUQYPX-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2,3-dihydroindene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-methyl-2,3-dihydroindene-1-carboxylic acid (CID 59860531) is 1-methyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-methyl-2,3-dihydroindene-1-carboxylic acid is CC1(C(=O)O)CCc2ccccc21.
What is the InChIKey of 1-methyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is IJYVZCGPRUQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 1-methyl-2,3-dihydroindene-1-carboxylic acid?
1-methyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 59860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).