(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine

C7H8BrNOS — CID 6375867

IUPAC(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-4,10H,2H2,1H3/b9-5-
InChIKeyPQQTWLXMARBUML-UITAMQMPSA-N
MW234.12 g/mol
LogP3.10
Rot. Bonds2

About (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine

(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine (PubChem CID 6375867) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine
PubChem CID6375867
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-4,10H,2H2,1H3/b9-5-
InChIKeyPQQTWLXMARBUML-UITAMQMPSA-N
XLogP3.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine (CID 6375867) is (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine is CC/C(=N/O)c1ccc(Br)s1.
What is the InChIKey of (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine?
The InChIKey is PQQTWLXMARBUML-UITAMQMPSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-4,10H,2H2,1H3/b9-5-.
What are the key properties of (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine?
(NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine has a molecular weight of 234.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(5-bromothiophen-2-yl)propylidene]hydroxylamine is sourced from PubChem (CID 6375867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).