CID 175902819

C2H5NNaO3 — CID 175902819

IUPAC—
SMILESO=[N+]([O-])CCO.[Na]
InChIInChI=1S/C2H5NO3.Na/c4-2-1-3(5)6;/h4H,1-2H2;
InChIKeyAWLRQDCGQMIGMT-UHFFFAOYSA-N
MW114.06 g/mol
LogP-1.13
Rot. Bonds2

About CID 175902819

CID 175902819 (PubChem CID 175902819) has the molecular formula C2H5NNaO3 and a molecular weight of 114.06 g/mol.

Molecular Properties

Compound NameCID 175902819
PubChem CID175902819
Molecular FormulaC2H5NNaO3
Molecular Weight114.06 g/mol
Exact Mass114.02
IUPAC Name—
SMILESO=[N+]([O-])CCO.[Na]
InChIInChI=1S/C2H5NO3.Na/c4-2-1-3(5)6;/h4H,1-2H2;
InChIKeyAWLRQDCGQMIGMT-UHFFFAOYSA-N
XLogP-1.13
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.06
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-nitroethanol
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silver;ethane-1,2-diol;nitrate
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1,5-dinitropentan-3-one
CID 150801945
bismuth;ethane-1,2-diol;trinitrate;pentahydrate
CID 158381527
1,13-dinitrotridecane
CID 19902714
sodium 2-nitroethanolate
CID 15264148
azane;ethane-1,2-diol;europium(3+);trinitrate;hydrate
CID 174777974
silver;2-aminoethanol;nitrate
CID 86737465
2-aminoethanol;bis(nitric acid)
CID 22257240
2-(hydroxymethyl)butane-1,4-diol;nitric acid
CID 87107747
1,9-dinitrononan-5-one
CID 57313336

Frequently Asked Questions

What is the IUPAC name of CID 175902819?
The IUPAC name of CID 175902819 (CID 175902819) is not available.
What is the SMILES notation for CID 175902819?
The canonical SMILES for CID 175902819 is O=[N+]([O-])CCO.[Na].
What is the InChIKey of CID 175902819?
The InChIKey is AWLRQDCGQMIGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3.Na/c4-2-1-3(5)6;/h4H,1-2H2;.
What are the key properties of CID 175902819?
CID 175902819 has a molecular weight of 114.06 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175902819 is sourced from PubChem (CID 175902819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).