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

C9H11NO — CID 6904166

IUPAC(NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)cc1
InChIInChI=1S/C9H11NO/c1-2-8-3-5-9(6-4-8)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKeyDCBIVYBFOCPTQI-JXMROGBWSA-N
MW149.19 g/mol
LogP2.06
Rot. Bonds2

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

(NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine (PubChem CID 6904166) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine
PubChem CID6904166
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)cc1
InChIInChI=1S/C9H11NO/c1-2-8-3-5-9(6-4-8)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKeyDCBIVYBFOCPTQI-JXMROGBWSA-N
XLogP2.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.06
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-ethylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine (CID 6904166) is (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine is CCc1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine?
The InChIKey is DCBIVYBFOCPTQI-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-8-3-5-9(6-4-8)7-10-11/h3-7,11H,2H2,1H3/b10-7+.
What are the key properties of (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine has a molecular weight of 149.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-ethylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6904166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).