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

C11H13N5O6 — CID 10543033

IUPAC(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O6/c17-14(18)9-4-5-11(10(8-9)15(19)20)22-12-16(21)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2/b16-12-
InChIKeyGWAUBFAYFMBEMP-VBKFSLOCSA-N
MW311.25 g/mol
LogP2.16
Rot. Bonds5

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

(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium (PubChem CID 10543033) has the molecular formula C11H13N5O6 and a molecular weight of 311.25 g/mol. Its IUPAC name is (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium.

Molecular Properties

Compound Name(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium
PubChem CID10543033
Molecular FormulaC11H13N5O6
Molecular Weight311.25 g/mol
Exact Mass311.09
IUPAC Name(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O6/c17-14(18)9-4-5-11(10(8-9)15(19)20)22-12-16(21)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2/b16-12-
InChIKeyGWAUBFAYFMBEMP-VBKFSLOCSA-N
XLogP2.16
TPSA137.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 52.16
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-piperidin-1-ylazanium?
The IUPAC name of (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium (CID 10543033) is (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium.
What is the SMILES notation for (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium?
The canonical SMILES for (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium is O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium?
The InChIKey is GWAUBFAYFMBEMP-VBKFSLOCSA-N. The full InChI is InChI=1S/C11H13N5O6/c17-14(18)9-4-5-11(10(8-9)15(19)20)22-12-16(21)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2/b16-12-.
What are the key properties of (Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium?
(Z)-(2,4-dinitrophenoxy)imino-oxido-piperidin-1-ylazanium has a molecular weight of 311.25 g/mol, XLogP of 2.16, 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-piperidin-1-ylazanium is sourced from PubChem (CID 10543033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).