N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide

C6H6INO3 — CID 170238554

IUPACN-iodo-6-oxo-2,3-dihydropyran-4-carboxamide
SMILESO=C1C=C(C(=O)NI)CCO1
InChIInChI=1S/C6H6INO3/c7-8-6(10)4-1-2-11-5(9)3-4/h3H,1-2H2,(H,8,10)
InChIKeyOEFSMCHBFXVSRB-UHFFFAOYSA-N
MW267.02 g/mol
LogP0.33
Rot. Bonds1

About N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide

N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide (PubChem CID 170238554) has the molecular formula C6H6INO3 and a molecular weight of 267.02 g/mol. Its IUPAC name is N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide.

Molecular Properties

Compound NameN-iodo-6-oxo-2,3-dihydropyran-4-carboxamide
PubChem CID170238554
Molecular FormulaC6H6INO3
Molecular Weight267.02 g/mol
Exact Mass266.94
IUPAC NameN-iodo-6-oxo-2,3-dihydropyran-4-carboxamide
SMILESO=C1C=C(C(=O)NI)CCO1
InChIInChI=1S/C6H6INO3/c7-8-6(10)4-1-2-11-5(9)3-4/h3H,1-2H2,(H,8,10)
InChIKeyOEFSMCHBFXVSRB-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.02
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-iodo-6-oxo-2,3-dihydropyran-4-carboxamide?
The IUPAC name of N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide (CID 170238554) is N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide.
What is the SMILES notation for N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide?
The canonical SMILES for N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide is O=C1C=C(C(=O)NI)CCO1.
What is the InChIKey of N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide?
The InChIKey is OEFSMCHBFXVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO3/c7-8-6(10)4-1-2-11-5(9)3-4/h3H,1-2H2,(H,8,10).
What are the key properties of N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide?
N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide has a molecular weight of 267.02 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-6-oxo-2,3-dihydropyran-4-carboxamide is sourced from PubChem (CID 170238554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).