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

C10H10O2 — CID 11275176

IUPAC(1S)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCc2ccccc21
InChIInChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)/t9-/m0/s1
InChIKeyJBQMFBWTKWOSQX-VIFPVBQESA-N
MW162.19 g/mol
LogP1.80
Rot. Bonds1

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

(1S)-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 11275176) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S)-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID11275176
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1S)-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1CCc2ccccc21
InChIInChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)/t9-/m0/s1
InChIKeyJBQMFBWTKWOSQX-VIFPVBQESA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1S)-2,3-dihydro-1H-indene-1-carboxylic acid (CID 11275176) is (1S)-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1S)-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1S)-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@H]1CCc2ccccc21.
What is the InChIKey of (1S)-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is JBQMFBWTKWOSQX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)/t9-/m0/s1.
What are the key properties of (1S)-2,3-dihydro-1H-indene-1-carboxylic acid?
(1S)-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 162.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 11275176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).