sodium;hydride;3-nitro-3-oxopropanal

C3H4NNaO4 — CID 173472789

IUPACsodium;hydride;3-nitro-3-oxopropanal
SMILESO=CCC(=O)[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C3H3NO4.Na.H/c5-2-1-3(6)4(7)8;;/h2H,1H2;;/q;+1;-1
InChIKeyUDGBCXYVBAUDRB-UHFFFAOYSA-N
MW141.06 g/mol
LogP-3.50
Rot. Bonds2

About sodium;hydride;3-nitro-3-oxopropanal

sodium;hydride;3-nitro-3-oxopropanal (PubChem CID 173472789) has the molecular formula C3H4NNaO4 and a molecular weight of 141.06 g/mol. Its IUPAC name is sodium;hydride;3-nitro-3-oxopropanal.

Molecular Properties

Compound Namesodium;hydride;3-nitro-3-oxopropanal
PubChem CID173472789
Molecular FormulaC3H4NNaO4
Molecular Weight141.06 g/mol
Exact Mass141.00
IUPAC Namesodium;hydride;3-nitro-3-oxopropanal
SMILESO=CCC(=O)[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C3H3NO4.Na.H/c5-2-1-3(6)4(7)8;;/h2H,1H2;;/q;+1;-1
InChIKeyUDGBCXYVBAUDRB-UHFFFAOYSA-N
XLogP-3.50
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174174219
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CID 172858364
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-nitro-3-oxopropanal?
The IUPAC name of sodium;hydride;3-nitro-3-oxopropanal (CID 173472789) is sodium;hydride;3-nitro-3-oxopropanal.
What is the SMILES notation for sodium;hydride;3-nitro-3-oxopropanal?
The canonical SMILES for sodium;hydride;3-nitro-3-oxopropanal is O=CCC(=O)[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hydride;3-nitro-3-oxopropanal?
The InChIKey is UDGBCXYVBAUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO4.Na.H/c5-2-1-3(6)4(7)8;;/h2H,1H2;;/q;+1;-1.
What are the key properties of sodium;hydride;3-nitro-3-oxopropanal?
sodium;hydride;3-nitro-3-oxopropanal has a molecular weight of 141.06 g/mol, XLogP of -3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-nitro-3-oxopropanal is sourced from PubChem (CID 173472789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).