(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine

C11H15NO — CID 6903755

IUPAC(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(/C=N/O)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)10-6-4-9(5-7-10)8-12-13/h4-8,13H,1-3H3/b12-8+
InChIKeyWVWXUAUBKHCCSV-XYOKQWHBSA-N
MW177.25 g/mol
LogP2.79
Rot. Bonds1

About (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine

(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine (PubChem CID 6903755) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine
PubChem CID6903755
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(/C=N/O)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)10-6-4-9(5-7-10)8-12-13/h4-8,13H,1-3H3/b12-8+
InChIKeyWVWXUAUBKHCCSV-XYOKQWHBSA-N
XLogP2.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.79
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-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine (CID 6903755) is (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine is CC(C)(C)c1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The InChIKey is WVWXUAUBKHCCSV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,3)10-6-4-9(5-7-10)8-12-13/h4-8,13H,1-3H3/b12-8+.
What are the key properties of (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-tert-butylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6903755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).