1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride

C13H15ClN2O2 — CID 175897644

IUPAC1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCCC(=O)N1N1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2.ClH/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;/h1-2,4-5H,3,6-9H2;1H
InChIKeyUNUZNJPNTHFYTP-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.88
Rot. Bonds1

About 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride

1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride (PubChem CID 175897644) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride
PubChem CID175897644
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCCC(=O)N1N1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O2.ClH/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;/h1-2,4-5H,3,6-9H2;1H
InChIKeyUNUZNJPNTHFYTP-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride (CID 175897644) is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride is Cl.O=C1CCCC(=O)N1N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride?
The InChIKey is UNUZNJPNTHFYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.ClH/c16-12-6-3-7-13(17)15(12)14-8-10-4-1-2-5-11(10)9-14;/h1-2,4-5H,3,6-9H2;1H.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride?
1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 175897644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).