(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium

C10H13N5O6 — CID 10566039

IUPAC(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O6/c1-3-12(4-2)15(20)11-21-10-6-5-8(13(16)17)7-9(10)14(18)19/h5-7H,3-4H2,1-2H3/b15-11-
InChIKeyONKVZWFYHPQIKD-PTNGSMBKSA-N
MW299.24 g/mol
LogP2.02
Rot. Bonds7

About (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium

(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium (PubChem CID 10566039) has the molecular formula C10H13N5O6 and a molecular weight of 299.24 g/mol. Its IUPAC name is (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium.

Molecular Properties

Compound Name(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium
PubChem CID10566039
Molecular FormulaC10H13N5O6
Molecular Weight299.24 g/mol
Exact Mass299.09
IUPAC Name(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium
SMILESCCN(CC)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N5O6/c1-3-12(4-2)15(20)11-21-10-6-5-8(13(16)17)7-9(10)14(18)19/h5-7H,3-4H2,1-2H3/b15-11-
InChIKeyONKVZWFYHPQIKD-PTNGSMBKSA-N
XLogP2.02
TPSA137.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.02
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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Related Compounds

2,4-Dinitrophenol
CID 1493
Ammonium Picrate
CID 8577
Ethyl 4-(2-(2,4-dinitrophenoxy)-1-oxidodiazenyl)-1-piperazinecarboxylate
CID 9572720
Sodium 2,4-dinitrophenolate
CID 70533
Sodium Picramate
CID 5362461
Sodium 2-amino-4-nitrophenoxide
CID 5485279
Picric acid, potassium salt
CID 68454
O-(2,4-dinitrophenyl)hydroxylamine
CID 87140
Diazodinitrophenol
CID 5463880
Picrate
CID 4432340
Silver Picrate
CID 8976
Phenol, 2,4-dinitro-, ion(1-)
CID 167909

Frequently Asked Questions

What is the IUPAC name of (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium?
The IUPAC name of (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium (CID 10566039) is (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium.
What is the SMILES notation for (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium?
The canonical SMILES for (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium is CCN(CC)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium?
The InChIKey is ONKVZWFYHPQIKD-PTNGSMBKSA-N. The full InChI is InChI=1S/C10H13N5O6/c1-3-12(4-2)15(20)11-21-10-6-5-8(13(16)17)7-9(10)14(18)19/h5-7H,3-4H2,1-2H3/b15-11-.
What are the key properties of (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium?
(Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium has a molecular weight of 299.24 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-diethylamino-(2,4-dinitrophenoxy)imino-oxidoazanium is sourced from PubChem (CID 10566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).