sodium;2,2-dinitroethanol;hydride

C2H5N2NaO5 — CID 173440263

IUPACsodium;2,2-dinitroethanol;hydride
SMILESO=[N+]([O-])C(CO)[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C2H4N2O5.Na.H/c5-1-2(3(6)7)4(8)9;;/h2,5H,1H2;;/q;+1;-1
InChIKeyVJWXWFMTFUATJT-UHFFFAOYSA-N
MW160.06 g/mol
LogP-4.03
Rot. Bonds3

About sodium;2,2-dinitroethanol;hydride

sodium;2,2-dinitroethanol;hydride (PubChem CID 173440263) has the molecular formula C2H5N2NaO5 and a molecular weight of 160.06 g/mol. Its IUPAC name is sodium;2,2-dinitroethanol;hydride.

Molecular Properties

Compound Namesodium;2,2-dinitroethanol;hydride
PubChem CID173440263
Molecular FormulaC2H5N2NaO5
Molecular Weight160.06 g/mol
Exact Mass160.01
IUPAC Namesodium;2,2-dinitroethanol;hydride
SMILESO=[N+]([O-])C(CO)[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C2H4N2O5.Na.H/c5-1-2(3(6)7)4(8)9;;/h2,5H,1H2;;/q;+1;-1
InChIKeyVJWXWFMTFUATJT-UHFFFAOYSA-N
XLogP-4.03
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.06
LogP ≤ 5-4.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

sodium;propane-1,2-diol;nitrate
CID 174898627
sodium 1-nitropropane-1,3-diol
CID 23690969
sodium;hydride;nitric acid
CID 174891443
2-(hydroxymethyl)butane-1,4-diol;nitric acid
CID 87107747
(2R)-2-bromo-2-nitroethanol
CID 76972500
(2S,5R)-2,5-dinitrohexane-1,6-diol
CID 92543376
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
1,1,6,6-tetranitrohexane
CID 119097401
(2S)-2-bromopropan-1-ol;nitric acid
CID 71377270
ethene;tris(nitric acid);propane-1,2,3-triol
CID 173206500
azane;1,3-dihydroxypropan-2-yl nitrate
CID 139485194
2-nitrobutan-1-ol
CID 11864

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-dinitroethanol;hydride?
The IUPAC name of sodium;2,2-dinitroethanol;hydride (CID 173440263) is sodium;2,2-dinitroethanol;hydride.
What is the SMILES notation for sodium;2,2-dinitroethanol;hydride?
The canonical SMILES for sodium;2,2-dinitroethanol;hydride is O=[N+]([O-])C(CO)[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;2,2-dinitroethanol;hydride?
The InChIKey is VJWXWFMTFUATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O5.Na.H/c5-1-2(3(6)7)4(8)9;;/h2,5H,1H2;;/q;+1;-1.
What are the key properties of sodium;2,2-dinitroethanol;hydride?
sodium;2,2-dinitroethanol;hydride has a molecular weight of 160.06 g/mol, XLogP of -4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-dinitroethanol;hydride is sourced from PubChem (CID 173440263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).