2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride

C9H10ClNO2 — CID 91828035

IUPAC2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CNC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10H,4-5H2,(H,11,12);1H
InChIKeyWPTYORQMGZIYAC-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.41
Rot. Bonds1

About 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride

2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride (PubChem CID 91828035) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride
PubChem CID91828035
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CNC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10H,4-5H2,(H,11,12);1H
InChIKeyWPTYORQMGZIYAC-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride (CID 91828035) is 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c1CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride?
The InChIKey is WPTYORQMGZIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c11-9(12)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10H,4-5H2,(H,11,12);1H.
What are the key properties of 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride?
2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 91828035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).