(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine

C4H4N4O3 — CID 135477872

IUPAC(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
SMILESO=[N+]([O-])/C(=N/O)c1ncc[nH]1
InChIInChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-5-1-2-6-3/h1-2,9H,(H,5,6)/b7-4+
InChIKeySYBAYLYBRZJPJJ-QPJJXVBHSA-N
MW156.10 g/mol
LogP-0.18
Rot. Bonds1

About (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine

(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine (PubChem CID 135477872) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
PubChem CID135477872
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Name(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
SMILESO=[N+]([O-])/C(=N/O)c1ncc[nH]1
InChIInChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-5-1-2-6-3/h1-2,9H,(H,5,6)/b7-4+
InChIKeySYBAYLYBRZJPJJ-QPJJXVBHSA-N
XLogP-0.18
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine
CID 137232334
N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
CID 137221291
methanol;2-nitro-1H-imidazole
CID 67614962
potassium 2-nitro-1H-imidazole
CID 23707816
bis(1H-imidazol-2-yl)methanethione
CID 11412697
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
bis(1H-imidazol-2-yl)methanone;oxalyl dichloride
CID 19366628
(Z)-1-(1H-imidazol-2-yl)ethylidenehydrazine
CID 137270945
1H-imidazole-2-carbothioamide
CID 18521648
2-[(Z)-but-2-en-2-yl]-1H-imidazole
CID 169206426
nitric acid;2-phenyl-1H-imidazole
CID 175386038
N-(4-methyl-2-nitrophenyl)-1H-imidazole-2-carboxamide
CID 110466542

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine (CID 135477872) is (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine is O=[N+]([O-])/C(=N/O)c1ncc[nH]1.
What is the InChIKey of (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine?
The InChIKey is SYBAYLYBRZJPJJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-5-1-2-6-3/h1-2,9H,(H,5,6)/b7-4+.
What are the key properties of (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine?
(NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine has a molecular weight of 156.10 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1H-imidazol-2-yl(nitro)methylidene]hydroxylamine is sourced from PubChem (CID 135477872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).