(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine

C9H7BrN2O — CID 136963509

IUPAC(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-1-2-9-6(3-7)4-8(12-9)5-11-13/h1-5,12-13H/b11-5+
InChIKeyOKIAYXTVACIVAF-VZUCSPMQSA-N
MW239.07 g/mol
LogP2.74
Rot. Bonds1

About (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine (PubChem CID 136963509) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
PubChem CID136963509
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-1-2-9-6(3-7)4-8(12-9)5-11-13/h1-5,12-13H/b11-5+
InChIKeyOKIAYXTVACIVAF-VZUCSPMQSA-N
XLogP2.74
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.74
H-Bond Donors ≤ 52
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-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine (CID 136963509) is (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine is O/N=C/c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
The InChIKey is OKIAYXTVACIVAF-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-1-2-9-6(3-7)4-8(12-9)5-11-13/h1-5,12-13H/b11-5+.
What are the key properties of (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine has a molecular weight of 239.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-bromo-1H-indol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136963509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).