(NE)-N-benzylidenehydroxylamine

C7H7NO — CID 5324611

IUPAC(NE)-N-benzylidenehydroxylamine
SMILESO/N=C/c1ccccc1
InChIInChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
InChIKeyVTWKXBJHBHYJBI-SOFGYWHQSA-N
MW121.14 g/mol
LogP1.49
Rot. Bonds1

About (NE)-N-benzylidenehydroxylamine

(NE)-N-benzylidenehydroxylamine (PubChem CID 5324611) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (NE)-N-benzylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-benzylidenehydroxylamine
PubChem CID5324611
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(NE)-N-benzylidenehydroxylamine
SMILESO/N=C/c1ccccc1
InChIInChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
InChIKeyVTWKXBJHBHYJBI-SOFGYWHQSA-N
XLogP1.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidenehydroxylamine?
The IUPAC name of (NE)-N-benzylidenehydroxylamine (CID 5324611) is (NE)-N-benzylidenehydroxylamine.
What is the SMILES notation for (NE)-N-benzylidenehydroxylamine?
The canonical SMILES for (NE)-N-benzylidenehydroxylamine is O/N=C/c1ccccc1.
What is the InChIKey of (NE)-N-benzylidenehydroxylamine?
The InChIKey is VTWKXBJHBHYJBI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+.
What are the key properties of (NE)-N-benzylidenehydroxylamine?
(NE)-N-benzylidenehydroxylamine has a molecular weight of 121.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidenehydroxylamine is sourced from PubChem (CID 5324611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).