N-[(5-bromofuran-2-yl)methylidene]hydroxylamine

C5H4BrNO2 — CID 844066

IUPACN-[(5-bromofuran-2-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc(Br)o1
InChIInChI=1S/C5H4BrNO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H
InChIKeyIFWZXDMZYQEEFZ-UHFFFAOYSA-N
MW190.00 g/mol
LogP1.85
Rot. Bonds1

About N-[(5-bromofuran-2-yl)methylidene]hydroxylamine

N-[(5-bromofuran-2-yl)methylidene]hydroxylamine (PubChem CID 844066) has the molecular formula C5H4BrNO2 and a molecular weight of 190.00 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methylidene]hydroxylamine
PubChem CID844066
Molecular FormulaC5H4BrNO2
Molecular Weight190.00 g/mol
Exact Mass188.94
IUPAC NameN-[(5-bromofuran-2-yl)methylidene]hydroxylamine
SMILESON=Cc1ccc(Br)o1
InChIInChI=1S/C5H4BrNO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H
InChIKeyIFWZXDMZYQEEFZ-UHFFFAOYSA-N
XLogP1.85
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 51.85
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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Related Compounds

(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine
CID 45155488
(NZ)-N-[(5-chlorofuran-2-yl)methylidene]hydroxylamine
CID 25489707
(NZ)-N-[[5-(2-bromophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5424769
[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 59646773
N-[(5-propylfuran-2-yl)methylidene]hydroxylamine
CID 71322162
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
(NE)-N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 50879288
(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
CID 13205479
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydroxylamine
CID 129431237
N-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]hydroxylamine
CID 71831994

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methylidene]hydroxylamine (CID 844066) is N-[(5-bromofuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methylidene]hydroxylamine is ON=Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methylidene]hydroxylamine?
The InChIKey is IFWZXDMZYQEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H.
What are the key properties of N-[(5-bromofuran-2-yl)methylidene]hydroxylamine?
N-[(5-bromofuran-2-yl)methylidene]hydroxylamine has a molecular weight of 190.00 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 844066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).