(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine

C8H9NO — CID 5372131

IUPAC(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)cc1
InChIInChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+
InChIKeySRNDYVBEUZSFEZ-RMKNXTFCSA-N
MW135.17 g/mol
LogP1.80
Rot. Bonds1

About (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine

(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine (PubChem CID 5372131) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
PubChem CID5372131
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)cc1
InChIInChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+
InChIKeySRNDYVBEUZSFEZ-RMKNXTFCSA-N
XLogP1.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.80
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-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine (CID 5372131) is (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine is Cc1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine?
The InChIKey is SRNDYVBEUZSFEZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+.
What are the key properties of (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-methylphenyl)methylidene]hydroxylamine has a molecular weight of 135.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5372131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).