1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride

C10H12ClNO — CID 71301993

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H11NO.ClH/c1-7(12)8-2-3-9-5-11-6-10(9)4-8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyFXAVHGCLORNEJR-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.91
Rot. Bonds1

About 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride

1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride (PubChem CID 71301993) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride
PubChem CID71301993
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CNC2.Cl
InChIInChI=1S/C10H11NO.ClH/c1-7(12)8-2-3-9-5-11-6-10(9)4-8;/h2-4,11H,5-6H2,1H3;1H
InChIKeyFXAVHGCLORNEJR-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride 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-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride (CID 71301993) is 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride is CC(=O)c1ccc2c(c1)CNC2.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride?
The InChIKey is FXAVHGCLORNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-7(12)8-2-3-9-5-11-6-10(9)4-8;/h2-4,11H,5-6H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride?
1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 71301993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).