N-iodooxane-4-carboxamide

C6H10INO2 — CID 89361759

IUPACN-iodooxane-4-carboxamide
SMILESO=C(NI)C1CCOCC1
InChIInChI=1S/C6H10INO2/c7-8-6(9)5-1-3-10-4-2-5/h5H,1-4H2,(H,8,9)
InChIKeyDBFUVNGPUMVLBA-UHFFFAOYSA-N
MW255.05 g/mol
LogP0.88
Rot. Bonds1

About N-iodooxane-4-carboxamide

N-iodooxane-4-carboxamide (PubChem CID 89361759) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is N-iodooxane-4-carboxamide.

Molecular Properties

Compound NameN-iodooxane-4-carboxamide
PubChem CID89361759
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC NameN-iodooxane-4-carboxamide
SMILESO=C(NI)C1CCOCC1
InChIInChI=1S/C6H10INO2/c7-8-6(9)5-1-3-10-4-2-5/h5H,1-4H2,(H,8,9)
InChIKeyDBFUVNGPUMVLBA-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodooxane-4-carboxamide?
The IUPAC name of N-iodooxane-4-carboxamide (CID 89361759) is N-iodooxane-4-carboxamide.
What is the SMILES notation for N-iodooxane-4-carboxamide?
The canonical SMILES for N-iodooxane-4-carboxamide is O=C(NI)C1CCOCC1.
What is the InChIKey of N-iodooxane-4-carboxamide?
The InChIKey is DBFUVNGPUMVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c7-8-6(9)5-1-3-10-4-2-5/h5H,1-4H2,(H,8,9).
What are the key properties of N-iodooxane-4-carboxamide?
N-iodooxane-4-carboxamide has a molecular weight of 255.05 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodooxane-4-carboxamide is sourced from PubChem (CID 89361759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).