(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine

C7H6BrNO — CID 5375574

IUPAC(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cccc(Br)c1
InChIInChI=1S/C7H6BrNO/c8-7-3-1-2-6(4-7)5-9-10/h1-5,10H/b9-5+
InChIKeyDBGBMIPNNIZQNN-WEVVVXLNSA-N
MW200.04 g/mol
LogP2.26
Rot. Bonds1

About (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine

(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine (PubChem CID 5375574) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine
PubChem CID5375574
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC Name(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cccc(Br)c1
InChIInChI=1S/C7H6BrNO/c8-7-3-1-2-6(4-7)5-9-10/h1-5,10H/b9-5+
InChIKeyDBGBMIPNNIZQNN-WEVVVXLNSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 52.26
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-[(3-bromophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine (CID 5375574) is (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine is O/N=C/c1cccc(Br)c1.
What is the InChIKey of (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine?
The InChIKey is DBGBMIPNNIZQNN-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-7-3-1-2-6(4-7)5-9-10/h1-5,10H/b9-5+.
What are the key properties of (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine?
(NE)-N-[(3-bromophenyl)methylidene]hydroxylamine has a molecular weight of 200.04 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-bromophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5375574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).