sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione

C10H17N2NaO2 — CID 135001720

IUPACsodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
SMILESCCCCC(CC)C1NC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C10H18N2O2.Na/c1-3-5-6-7(4-2)8-9(13)12-10(14)11-8;/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14);/q;+1/p-1
InChIKeyQWLXSPLEQRLICL-UHFFFAOYSA-M
MW220.25 g/mol
LogP-0.80
Rot. Bonds5

About sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione

sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione (PubChem CID 135001720) has the molecular formula C10H17N2NaO2 and a molecular weight of 220.25 g/mol. Its IUPAC name is sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
PubChem CID135001720
Molecular FormulaC10H17N2NaO2
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Namesodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
SMILESCCCCC(CC)C1NC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C10H18N2O2.Na/c1-3-5-6-7(4-2)8-9(13)12-10(14)11-8;/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14);/q;+1/p-1
InChIKeyQWLXSPLEQRLICL-UHFFFAOYSA-M
XLogP-0.80
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione (CID 135001720) is sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione is CCCCC(CC)C1NC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione?
The InChIKey is QWLXSPLEQRLICL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2O2.Na/c1-3-5-6-7(4-2)8-9(13)12-10(14)11-8;/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14);/q;+1/p-1.
What are the key properties of sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione?
sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione has a molecular weight of 220.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione is sourced from PubChem (CID 135001720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).