sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride

C8H13N2NaO4 — CID 173201360

IUPACsodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride
SMILESCCOCCC1C(=O)NC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C8H12N2O4.Na.H/c1-2-14-4-3-5-6(11)9-8(13)10-7(5)12;;/h5H,2-4H2,1H3,(H2,9,10,11,12,13);;/q;+1;-1
InChIKeyWEIBSWSQKLLCLN-UHFFFAOYSA-N
MW224.19 g/mol
LogP-3.49
Rot. Bonds4

About sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride

sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride (PubChem CID 173201360) has the molecular formula C8H13N2NaO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride.

Molecular Properties

Compound Namesodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride
PubChem CID173201360
Molecular FormulaC8H13N2NaO4
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Namesodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride
SMILESCCOCCC1C(=O)NC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C8H12N2O4.Na.H/c1-2-14-4-3-5-6(11)9-8(13)10-7(5)12;;/h5H,2-4H2,1H3,(H2,9,10,11,12,13);;/q;+1;-1
InChIKeyWEIBSWSQKLLCLN-UHFFFAOYSA-N
XLogP-3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-3.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 66970234
CID 66970234
sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 175394828
3-(2-ethoxyethyl)oxolan-2-one
CID 165357092
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
5-(2-aminoethyl)-1,3-diazinane-2,4,6-trione
CID 82647071
5-ethoxy-1,3-diazinane-2,4,6-trione
CID 165356464
CID 164960414
CID 164960414
5-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 5141165
sodium;1,2-diethoxyethane;hydride
CID 174903036
5-[(E)-but-2-enyl]-1,3-diazinane-2,4,6-trione
CID 6381685
5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione
CID 141227238
ethyl (2S)-2-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 86699673

Frequently Asked Questions

What is the IUPAC name of sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride?
The IUPAC name of sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride (CID 173201360) is sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride.
What is the SMILES notation for sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride?
The canonical SMILES for sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride is CCOCCC1C(=O)NC(=O)NC1=O.[H-].[Na+].
What is the InChIKey of sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride?
The InChIKey is WEIBSWSQKLLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4.Na.H/c1-2-14-4-3-5-6(11)9-8(13)10-7(5)12;;/h5H,2-4H2,1H3,(H2,9,10,11,12,13);;/q;+1;-1.
What are the key properties of sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride?
sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride has a molecular weight of 224.19 g/mol, XLogP of -3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride is sourced from PubChem (CID 173201360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).