(E)-6-chloro-4-iodohex-5-enamide

C6H9ClINO — CID 163907465

IUPAC(E)-6-chloro-4-iodohex-5-enamide
SMILESNC(=O)CCC(I)/C=C/Cl
InChIInChI=1S/C6H9ClINO/c7-4-3-5(8)1-2-6(9)10/h3-5H,1-2H2,(H2,9,10)/b4-3+
InChIKeyQPFFYVFOCHNRDY-ONEGZZNKSA-N
MW273.50 g/mol
LogP1.81
Rot. Bonds4

About (E)-6-chloro-4-iodohex-5-enamide

(E)-6-chloro-4-iodohex-5-enamide (PubChem CID 163907465) has the molecular formula C6H9ClINO and a molecular weight of 273.50 g/mol. Its IUPAC name is (E)-6-chloro-4-iodohex-5-enamide.

Molecular Properties

Compound Name(E)-6-chloro-4-iodohex-5-enamide
PubChem CID163907465
Molecular FormulaC6H9ClINO
Molecular Weight273.50 g/mol
Exact Mass272.94
IUPAC Name(E)-6-chloro-4-iodohex-5-enamide
SMILESNC(=O)CCC(I)/C=C/Cl
InChIInChI=1S/C6H9ClINO/c7-4-3-5(8)1-2-6(9)10/h3-5H,1-2H2,(H2,9,10)/b4-3+
InChIKeyQPFFYVFOCHNRDY-ONEGZZNKSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-4-iodohex-5-enamide?
The IUPAC name of (E)-6-chloro-4-iodohex-5-enamide (CID 163907465) is (E)-6-chloro-4-iodohex-5-enamide.
What is the SMILES notation for (E)-6-chloro-4-iodohex-5-enamide?
The canonical SMILES for (E)-6-chloro-4-iodohex-5-enamide is NC(=O)CCC(I)/C=C/Cl.
What is the InChIKey of (E)-6-chloro-4-iodohex-5-enamide?
The InChIKey is QPFFYVFOCHNRDY-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9ClINO/c7-4-3-5(8)1-2-6(9)10/h3-5H,1-2H2,(H2,9,10)/b4-3+.
What are the key properties of (E)-6-chloro-4-iodohex-5-enamide?
(E)-6-chloro-4-iodohex-5-enamide has a molecular weight of 273.50 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-4-iodohex-5-enamide is sourced from PubChem (CID 163907465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).