piperidine-3,5-dione;hydrochloride

C5H8ClNO2 — CID 12637127

IUPACpiperidine-3,5-dione;hydrochloride
SMILESCl.O=C1CNCC(=O)C1
InChIInChI=1S/C5H7NO2.ClH/c7-4-1-5(8)3-6-2-4;/h6H,1-3H2;1H
InChIKeyZTJNSMBNILHDHI-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.46
Rot. Bonds

About piperidine-3,5-dione;hydrochloride

piperidine-3,5-dione;hydrochloride (PubChem CID 12637127) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is piperidine-3,5-dione;hydrochloride.

Molecular Properties

Compound Namepiperidine-3,5-dione;hydrochloride
PubChem CID12637127
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Namepiperidine-3,5-dione;hydrochloride
SMILESCl.O=C1CNCC(=O)C1
InChIInChI=1S/C5H7NO2.ClH/c7-4-1-5(8)3-6-2-4;/h6H,1-3H2;1H
InChIKeyZTJNSMBNILHDHI-UHFFFAOYSA-N
XLogP-0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-3,5-dione;hydrochloride?
The IUPAC name of piperidine-3,5-dione;hydrochloride (CID 12637127) is piperidine-3,5-dione;hydrochloride.
What is the SMILES notation for piperidine-3,5-dione;hydrochloride?
The canonical SMILES for piperidine-3,5-dione;hydrochloride is Cl.O=C1CNCC(=O)C1.
What is the InChIKey of piperidine-3,5-dione;hydrochloride?
The InChIKey is ZTJNSMBNILHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.ClH/c7-4-1-5(8)3-6-2-4;/h6H,1-3H2;1H.
What are the key properties of piperidine-3,5-dione;hydrochloride?
piperidine-3,5-dione;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,5-dione;hydrochloride is sourced from PubChem (CID 12637127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).