(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine

C5H4INO2 — CID 45155488

IUPAC(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(I)o1
InChIInChI=1S/C5H4INO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+
InChIKeyQNVJIYRXICPKAZ-XVNBXDOJSA-N
MW237.00 g/mol
LogP1.69
Rot. Bonds1

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

(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine (PubChem CID 45155488) has the molecular formula C5H4INO2 and a molecular weight of 237.00 g/mol. Its IUPAC name is (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine
PubChem CID45155488
Molecular FormulaC5H4INO2
Molecular Weight237.00 g/mol
Exact Mass236.93
IUPAC Name(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(I)o1
InChIInChI=1S/C5H4INO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+
InChIKeyQNVJIYRXICPKAZ-XVNBXDOJSA-N
XLogP1.69
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

N-[(5-bromofuran-2-yl)methylidene]hydroxylamine
CID 844066
(NZ)-N-[(5-chlorofuran-2-yl)methylidene]hydroxylamine
CID 25489707
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
[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
(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
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propan-1-amine
CID 126044668
(1R,2R,6R,7R)-4-[(5-iodofuran-2-yl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 129439847
(NZ)-N-[[5-(2-bromophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5424769

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine (CID 45155488) is (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine is O/N=C/c1ccc(I)o1.
What is the InChIKey of (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine?
The InChIKey is QNVJIYRXICPKAZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H4INO2/c6-5-2-1-4(9-5)3-7-8/h1-3,8H/b7-3+.
What are the key properties of (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine has a molecular weight of 237.00 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-iodofuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 45155488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).