(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine

C8H8N2O2 — CID 135533051

IUPAC(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine
SMILESO/N=C/C(=N/O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H/b9-6+,10-8-
InChIKeyMLXJSLOEWNSWKU-BXXMFMFASA-N
MW164.16 g/mol
LogP1.32
Rot. Bonds2

About (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine

(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine (PubChem CID 135533051) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine
PubChem CID135533051
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine
SMILESO/N=C/C(=N/O)c1ccccc1
InChIInChI=1S/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H/b9-6+,10-8-
InChIKeyMLXJSLOEWNSWKU-BXXMFMFASA-N
XLogP1.32
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Benzaldehyde Oxime
CID 5324611
Acetophenone oxime
CID 5464950
N-tert-Butyl-alpha-phenylnitrone
CID 638877
Benzophenone oxime
CID 11324
Benzil dioxime
CID 135405330
Phenylacetaldoxime
CID 99748
Terephthalaldehyde dioxime
CID 135482632
gamma-Benzil dioxime
CID 135408737
Cinnamaldehyde oxime
CID 9561350
Acetophenonoxime
CID 69185
(E)-Phenylacetaldehyde oxime
CID 9638853
(Z)-Phenylacetaldehyde oxime
CID 5939523

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine (CID 135533051) is (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine is O/N=C/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine?
The InChIKey is MLXJSLOEWNSWKU-BXXMFMFASA-N. The full InChI is InChI=1S/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H/b9-6+,10-8-.
What are the key properties of (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine?
(NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine has a molecular weight of 164.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 135533051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).