(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide

C8H9N5O3 — CID 135580732

IUPAC(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide
SMILESNC(=N\O)/C(=N\Nc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C8H9N5O3/c9-7(12-14)8(13(15)16)11-10-6-4-2-1-3-5-6/h1-5,10,14H,(H2,9,12)/b11-8+
InChIKeyMABBVDPTFQTMKG-DHZHZOJOSA-N
MW223.19 g/mol
LogP0.44
Rot. Bonds2

About (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide

(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide (PubChem CID 135580732) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide.

Molecular Properties

Compound Name(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide
PubChem CID135580732
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide
SMILESNC(=N\O)/C(=N\Nc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C8H9N5O3/c9-7(12-14)8(13(15)16)11-10-6-4-2-1-3-5-6/h1-5,10,14H,(H2,9,12)/b11-8+
InChIKeyMABBVDPTFQTMKG-DHZHZOJOSA-N
XLogP0.44
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide?
The IUPAC name of (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide (CID 135580732) is (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide.
What is the SMILES notation for (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide?
The canonical SMILES for (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide is NC(=N\O)/C(=N\Nc1ccccc1)[N+](=O)[O-].
What is the InChIKey of (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide?
The InChIKey is MABBVDPTFQTMKG-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H9N5O3/c9-7(12-14)8(13(15)16)11-10-6-4-2-1-3-5-6/h1-5,10,14H,(H2,9,12)/b11-8+.
What are the key properties of (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide?
(2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide has a molecular weight of 223.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-hydroxy-2-nitro-2-(phenylhydrazinylidene)ethanimidamide is sourced from PubChem (CID 135580732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).