(3E)-N-hydroxyfuran-3-carboximidoyl chloride

C5H4ClNO2 — CID 55269452

IUPAC(3E)-N-hydroxyfuran-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1ccoc1
InChIInChI=1S/C5H4ClNO2/c6-5(7-8)4-1-2-9-3-4/h1-3,8H/b7-5+
InChIKeyAWFROTPREIFBLS-FNORWQNLSA-N
MW145.54 g/mol
LogP1.65
Rot. Bonds1

About (3E)-N-hydroxyfuran-3-carboximidoyl chloride

(3E)-N-hydroxyfuran-3-carboximidoyl chloride (PubChem CID 55269452) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is (3E)-N-hydroxyfuran-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3E)-N-hydroxyfuran-3-carboximidoyl chloride
PubChem CID55269452
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name(3E)-N-hydroxyfuran-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1ccoc1
InChIInChI=1S/C5H4ClNO2/c6-5(7-8)4-1-2-9-3-4/h1-3,8H/b7-5+
InChIKeyAWFROTPREIFBLS-FNORWQNLSA-N
XLogP1.65
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.65
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 (3E)-N-hydroxyfuran-3-carboximidoyl chloride?
The IUPAC name of (3E)-N-hydroxyfuran-3-carboximidoyl chloride (CID 55269452) is (3E)-N-hydroxyfuran-3-carboximidoyl chloride.
What is the SMILES notation for (3E)-N-hydroxyfuran-3-carboximidoyl chloride?
The canonical SMILES for (3E)-N-hydroxyfuran-3-carboximidoyl chloride is O/N=C(/Cl)c1ccoc1.
What is the InChIKey of (3E)-N-hydroxyfuran-3-carboximidoyl chloride?
The InChIKey is AWFROTPREIFBLS-FNORWQNLSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-5(7-8)4-1-2-9-3-4/h1-3,8H/b7-5+.
What are the key properties of (3E)-N-hydroxyfuran-3-carboximidoyl chloride?
(3E)-N-hydroxyfuran-3-carboximidoyl chloride has a molecular weight of 145.54 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-hydroxyfuran-3-carboximidoyl chloride is sourced from PubChem (CID 55269452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).