2-iodopent-4-enamide

C5H8INO — CID 87665128

IUPAC2-iodopent-4-enamide
SMILESC=CCC(I)C(N)=O
InChIInChI=1S/C5H8INO/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H2,7,8)
InChIKeyMTHTWVCUKZZDLB-UHFFFAOYSA-N
MW225.03 g/mol
LogP0.85
Rot. Bonds3

About 2-iodopent-4-enamide

2-iodopent-4-enamide (PubChem CID 87665128) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is 2-iodopent-4-enamide.

Molecular Properties

Compound Name2-iodopent-4-enamide
PubChem CID87665128
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name2-iodopent-4-enamide
SMILESC=CCC(I)C(N)=O
InChIInChI=1S/C5H8INO/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H2,7,8)
InChIKeyMTHTWVCUKZZDLB-UHFFFAOYSA-N
XLogP0.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 50.85
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodopent-4-enamide?
The IUPAC name of 2-iodopent-4-enamide (CID 87665128) is 2-iodopent-4-enamide.
What is the SMILES notation for 2-iodopent-4-enamide?
The canonical SMILES for 2-iodopent-4-enamide is C=CCC(I)C(N)=O.
What is the InChIKey of 2-iodopent-4-enamide?
The InChIKey is MTHTWVCUKZZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO/c1-2-3-4(6)5(7)8/h2,4H,1,3H2,(H2,7,8).
What are the key properties of 2-iodopent-4-enamide?
2-iodopent-4-enamide has a molecular weight of 225.03 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopent-4-enamide is sourced from PubChem (CID 87665128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).