sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium

C5H8N3NaO3 — CID 59944829

IUPACsodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium
SMILESO=CC1CCCN1/[N+]([O-])=N/[O-].[Na+]
InChIInChI=1S/C5H9N3O3.Na/c9-4-5-2-1-3-7(5)8(11)6-10;/h4-5,10H,1-3H2;/q;+1/p-1/b8-6-;
InChIKeyZQSPZQZDFCFRMT-PHZXCRFESA-M
MW181.13 g/mol
LogP-2.97
Rot. Bonds2

About sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium

sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium (PubChem CID 59944829) has the molecular formula C5H8N3NaO3 and a molecular weight of 181.13 g/mol. Its IUPAC name is sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium.

Molecular Properties

Compound Namesodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium
PubChem CID59944829
Molecular FormulaC5H8N3NaO3
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Namesodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium
SMILESO=CC1CCCN1/[N+]([O-])=N/[O-].[Na+]
InChIInChI=1S/C5H9N3O3.Na/c9-4-5-2-1-3-7(5)8(11)6-10;/h4-5,10H,1-3H2;/q;+1/p-1/b8-6-;
InChIKeyZQSPZQZDFCFRMT-PHZXCRFESA-M
XLogP-2.97
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium?
The IUPAC name of sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium (CID 59944829) is sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium.
What is the SMILES notation for sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium?
The canonical SMILES for sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium is O=CC1CCCN1/[N+]([O-])=N/[O-].[Na+].
What is the InChIKey of sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium?
The InChIKey is ZQSPZQZDFCFRMT-PHZXCRFESA-M. The full InChI is InChI=1S/C5H9N3O3.Na/c9-4-5-2-1-3-7(5)8(11)6-10;/h4-5,10H,1-3H2;/q;+1/p-1/b8-6-;.
What are the key properties of sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium?
sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium has a molecular weight of 181.13 g/mol, XLogP of -2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-(2-formylpyrrolidin-1-yl)-oxido-oxidoiminoazanium is sourced from PubChem (CID 59944829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).