N-(2,4-dinitrophenyl)nitrous amide

C6H4N4O5 — CID 54504418

IUPACN-(2,4-dinitrophenyl)nitrous amide
SMILESO=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O5/c11-8-7-5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,(H,7,11)
InChIKeyYERNCYBPSJENKN-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.60
Rot. Bonds4

About N-(2,4-dinitrophenyl)nitrous amide

N-(2,4-dinitrophenyl)nitrous amide (PubChem CID 54504418) has the molecular formula C6H4N4O5 and a molecular weight of 212.12 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)nitrous amide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)nitrous amide
PubChem CID54504418
Molecular FormulaC6H4N4O5
Molecular Weight212.12 g/mol
Exact Mass212.02
IUPAC NameN-(2,4-dinitrophenyl)nitrous amide
SMILESO=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C6H4N4O5/c11-8-7-5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,(H,7,11)
InChIKeyYERNCYBPSJENKN-UHFFFAOYSA-N
XLogP1.60
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(dideuteriomethylideneamino)-2,4-dinitroaniline
CID 100938407
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
N-[(E)-cyclopropylmethylideneamino]-2,4-dinitroaniline
CID 14950104
(2,4-dinitrophenyl)cyanamide
CID 12679048
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
N-[(E)-3-aminopropylideneamino]-2,4-dinitroaniline
CID 22462640
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)nitrous amide?
The IUPAC name of N-(2,4-dinitrophenyl)nitrous amide (CID 54504418) is N-(2,4-dinitrophenyl)nitrous amide.
What is the SMILES notation for N-(2,4-dinitrophenyl)nitrous amide?
The canonical SMILES for N-(2,4-dinitrophenyl)nitrous amide is O=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dinitrophenyl)nitrous amide?
The InChIKey is YERNCYBPSJENKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O5/c11-8-7-5-2-1-4(9(12)13)3-6(5)10(14)15/h1-3H,(H,7,11).
What are the key properties of N-(2,4-dinitrophenyl)nitrous amide?
N-(2,4-dinitrophenyl)nitrous amide has a molecular weight of 212.12 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)nitrous amide is sourced from PubChem (CID 54504418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).