1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride

C7H9ClN2O2 — CID 155821172

IUPAC1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1C1CNC1
InChIInChI=1S/C7H8N2O2.ClH/c10-6-1-2-7(11)9(6)5-3-8-4-5;/h1-2,5,8H,3-4H2;1H
InChIKeyLAHPEPQHCPQLFO-UHFFFAOYSA-N
MW188.61 g/mol
LogP-0.69
Rot. Bonds1

About 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride

1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride (PubChem CID 155821172) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride
PubChem CID155821172
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride
SMILESCl.O=C1C=CC(=O)N1C1CNC1
InChIInChI=1S/C7H8N2O2.ClH/c10-6-1-2-7(11)9(6)5-3-8-4-5;/h1-2,5,8H,3-4H2;1H
InChIKeyLAHPEPQHCPQLFO-UHFFFAOYSA-N
XLogP-0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
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-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride (CID 155821172) is 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride is Cl.O=C1C=CC(=O)N1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride?
The InChIKey is LAHPEPQHCPQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c10-6-1-2-7(11)9(6)5-3-8-4-5;/h1-2,5,8H,3-4H2;1H.
What are the key properties of 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride?
1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride is sourced from PubChem (CID 155821172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).