4-iodopent-4-enamide

C5H8INO — CID 23655993

IUPAC4-iodopent-4-enamide
SMILESC=C(I)CCC(N)=O
InChIInChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h1-3H2,(H2,7,8)
InChIKeyXEBGTWRUQFVRKX-UHFFFAOYSA-N
MW225.03 g/mol
LogP1.20
Rot. Bonds3

About 4-iodopent-4-enamide

4-iodopent-4-enamide (PubChem CID 23655993) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is 4-iodopent-4-enamide.

Molecular Properties

Compound Name4-iodopent-4-enamide
PubChem CID23655993
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name4-iodopent-4-enamide
SMILESC=C(I)CCC(N)=O
InChIInChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h1-3H2,(H2,7,8)
InChIKeyXEBGTWRUQFVRKX-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodopent-4-enamide?
The IUPAC name of 4-iodopent-4-enamide (CID 23655993) is 4-iodopent-4-enamide.
What is the SMILES notation for 4-iodopent-4-enamide?
The canonical SMILES for 4-iodopent-4-enamide is C=C(I)CCC(N)=O.
What is the InChIKey of 4-iodopent-4-enamide?
The InChIKey is XEBGTWRUQFVRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h1-3H2,(H2,7,8).
What are the key properties of 4-iodopent-4-enamide?
4-iodopent-4-enamide has a molecular weight of 225.03 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopent-4-enamide is sourced from PubChem (CID 23655993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).