sodium piperidine-2,6-dione

C5H7NNaO2+ — CID 22619648

IUPACsodium piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1.[Na+]
InChIInChI=1S/C5H7NO2.Na/c7-4-2-1-3-5(8)6-4;/h1-3H2,(H,6,7,8);/q;+1
InChIKeyUVAXXPDZDOJVCZ-UHFFFAOYSA-N
MW136.11 g/mol
LogP-3.18
Rot. Bonds

About sodium piperidine-2,6-dione

sodium piperidine-2,6-dione (PubChem CID 22619648) has the molecular formula C5H7NNaO2+ and a molecular weight of 136.11 g/mol. Its IUPAC name is sodium piperidine-2,6-dione.

Molecular Properties

Compound Namesodium piperidine-2,6-dione
PubChem CID22619648
Molecular FormulaC5H7NNaO2+
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Namesodium piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1.[Na+]
InChIInChI=1S/C5H7NO2.Na/c7-4-2-1-3-5(8)6-4;/h1-3H2,(H,6,7,8);/q;+1
InChIKeyUVAXXPDZDOJVCZ-UHFFFAOYSA-N
XLogP-3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-3.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium piperidine-2,6-dione?
The IUPAC name of sodium piperidine-2,6-dione (CID 22619648) is sodium piperidine-2,6-dione.
What is the SMILES notation for sodium piperidine-2,6-dione?
The canonical SMILES for sodium piperidine-2,6-dione is O=C1CCCC(=O)N1.[Na+].
What is the InChIKey of sodium piperidine-2,6-dione?
The InChIKey is UVAXXPDZDOJVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.Na/c7-4-2-1-3-5(8)6-4;/h1-3H2,(H,6,7,8);/q;+1.
What are the key properties of sodium piperidine-2,6-dione?
sodium piperidine-2,6-dione has a molecular weight of 136.11 g/mol, XLogP of -3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium piperidine-2,6-dione is sourced from PubChem (CID 22619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).