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

C11H15NO — CID 1275951

IUPACN-[(4-tert-butylphenyl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C=NO)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)10-6-4-9(5-7-10)8-12-13/h4-8,13H,1-3H3
InChIKeyWVWXUAUBKHCCSV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.79
Rot. Bonds1

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

N-[(4-tert-butylphenyl)methylidene]hydroxylamine (PubChem CID 1275951) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methylidene]hydroxylamine
PubChem CID1275951
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(4-tert-butylphenyl)methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(C=NO)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)10-6-4-9(5-7-10)8-12-13/h4-8,13H,1-3H3
InChIKeyWVWXUAUBKHCCSV-UHFFFAOYSA-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 N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-tert-butylphenyl)methylidene]hydroxylamine (CID 1275951) is N-[(4-tert-butylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methylidene]hydroxylamine is CC(C)(C)c1ccc(C=NO)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
The InChIKey is WVWXUAUBKHCCSV-UHFFFAOYSA-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.
What are the key properties of N-[(4-tert-butylphenyl)methylidene]hydroxylamine?
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 N-[(4-tert-butylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 1275951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).