2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride

C12H12ClN3O2 — CID 67266089

IUPAC2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NC1=NCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11N3O2.ClH/c13-10-9(5-6-14-10)15-11(16)7-3-1-2-4-8(7)12(15)17;/h1-4,9H,5-6H2,(H2,13,14);1H
InChIKeyNZYZYSHFUQPJDC-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.83
Rot. Bonds1

About 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride

2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 67266089) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride
PubChem CID67266089
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NC1=NCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11N3O2.ClH/c13-10-9(5-6-14-10)15-11(16)7-3-1-2-4-8(7)12(15)17;/h1-4,9H,5-6H2,(H2,13,14);1H
InChIKeyNZYZYSHFUQPJDC-UHFFFAOYSA-N
XLogP0.83
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride (CID 67266089) is 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride is Cl.NC1=NCCC1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride?
The InChIKey is NZYZYSHFUQPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.ClH/c13-10-9(5-6-14-10)15-11(16)7-3-1-2-4-8(7)12(15)17;/h1-4,9H,5-6H2,(H2,13,14);1H.
What are the key properties of 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride?
2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 67266089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).