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

C6H6BrNOS — CID 3510072

IUPACN-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3
InChIKeyGGNDYUAZNCRVDC-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.71
Rot. Bonds1

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

N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine (PubChem CID 3510072) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
PubChem CID3510072
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3
InChIKeyGGNDYUAZNCRVDC-UHFFFAOYSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.71
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 N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine (CID 3510072) is N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine is CC(=NO)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
The InChIKey is GGNDYUAZNCRVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS/c1-4(8-9)5-2-3-6(7)10-5/h2-3,9H,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine?
N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine has a molecular weight of 220.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 3510072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).