(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid

C11H12O2 — CID 124509477

IUPAC(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESC[C@]1(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)/t11-/m0/s1
InChIKeyIJYVZCGPRUQYPX-NSHDSACASA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds1

About (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid

(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 124509477) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID124509477
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESC[C@]1(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)/t11-/m0/s1
InChIKeyIJYVZCGPRUQYPX-NSHDSACASA-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

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Related Compounds

(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 150280262
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
1-methyl-3,4-dihydroisothiochromene-1-carboxylic acid
CID 71385563
1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721907
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
CID 67860142

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid (CID 124509477) is (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid is C[C@]1(C(=O)O)CCc2ccccc21.
What is the InChIKey of (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is IJYVZCGPRUQYPX-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid?
(1S)-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 (1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 124509477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).