(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium

C10H11N5O6 — CID 10613918

IUPAC(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O6/c16-13(17)8-3-4-10(9(7-8)14(18)19)21-11-15(20)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b15-11-
InChIKeyIXVUWTKIDGYBHL-PTNGSMBKSA-N
MW297.23 g/mol
LogP1.77
Rot. Bonds5

About (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium

(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium (PubChem CID 10613918) has the molecular formula C10H11N5O6 and a molecular weight of 297.23 g/mol. Its IUPAC name is (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium.

Molecular Properties

Compound Name(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium
PubChem CID10613918
Molecular FormulaC10H11N5O6
Molecular Weight297.23 g/mol
Exact Mass297.07
IUPAC Name(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O6/c16-13(17)8-3-4-10(9(7-8)14(18)19)21-11-15(20)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b15-11-
InChIKeyIXVUWTKIDGYBHL-PTNGSMBKSA-N
XLogP1.77
TPSA137.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium?
The IUPAC name of (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium (CID 10613918) is (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium.
What is the SMILES notation for (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium?
The canonical SMILES for (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium is O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium?
The InChIKey is IXVUWTKIDGYBHL-PTNGSMBKSA-N. The full InChI is InChI=1S/C10H11N5O6/c16-13(17)8-3-4-10(9(7-8)14(18)19)21-11-15(20)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b15-11-.
What are the key properties of (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium?
(Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium has a molecular weight of 297.23 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2,4-dinitrophenoxy)imino-oxido-pyrrolidin-1-ylazanium is sourced from PubChem (CID 10613918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).