sodium;hydride;propanedial

C3H5NaO2 — CID 173359182

IUPACsodium;hydride;propanedial
SMILESO=CCC=O.[H-].[Na+]
InChIInChI=1S/C3H4O2.Na.H/c4-2-1-3-5;;/h2-3H,1H2;;/q;+1;-1
InChIKeyPKXPOTJIENODBA-UHFFFAOYSA-N
MW96.06 g/mol
LogP-3.11
Rot. Bonds2

About sodium;hydride;propanedial

sodium;hydride;propanedial (PubChem CID 173359182) has the molecular formula C3H5NaO2 and a molecular weight of 96.06 g/mol. Its IUPAC name is sodium;hydride;propanedial.

Molecular Properties

Compound Namesodium;hydride;propanedial
PubChem CID173359182
Molecular FormulaC3H5NaO2
Molecular Weight96.06 g/mol
Exact Mass96.02
IUPAC Namesodium;hydride;propanedial
SMILESO=CCC=O.[H-].[Na+]
InChIInChI=1S/C3H4O2.Na.H/c4-2-1-3-5;;/h2-3H,1H2;;/q;+1;-1
InChIKeyPKXPOTJIENODBA-UHFFFAOYSA-N
XLogP-3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.06
LogP ≤ 5-3.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;propanedial?
The IUPAC name of sodium;hydride;propanedial (CID 173359182) is sodium;hydride;propanedial.
What is the SMILES notation for sodium;hydride;propanedial?
The canonical SMILES for sodium;hydride;propanedial is O=CCC=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;propanedial?
The InChIKey is PKXPOTJIENODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.Na.H/c4-2-1-3-5;;/h2-3H,1H2;;/q;+1;-1.
What are the key properties of sodium;hydride;propanedial?
sodium;hydride;propanedial has a molecular weight of 96.06 g/mol, XLogP of -3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;propanedial is sourced from PubChem (CID 173359182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).