N-iodopent-4-enamide

C5H8INO — CID 139404906

IUPACN-iodopent-4-enamide
SMILESC=CCCC(=O)NI
InChIInChI=1S/C5H8INO/c1-2-3-4-5(8)7-6/h2H,1,3-4H2,(H,7,8)
InChIKeyAQDFKPMUCDPZJI-UHFFFAOYSA-N
MW225.03 g/mol
LogP1.42
Rot. Bonds3

About N-iodopent-4-enamide

N-iodopent-4-enamide (PubChem CID 139404906) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is N-iodopent-4-enamide.

Molecular Properties

Compound NameN-iodopent-4-enamide
PubChem CID139404906
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC NameN-iodopent-4-enamide
SMILESC=CCCC(=O)NI
InChIInChI=1S/C5H8INO/c1-2-3-4-5(8)7-6/h2H,1,3-4H2,(H,7,8)
InChIKeyAQDFKPMUCDPZJI-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodopent-4-enamide?
The IUPAC name of N-iodopent-4-enamide (CID 139404906) is N-iodopent-4-enamide.
What is the SMILES notation for N-iodopent-4-enamide?
The canonical SMILES for N-iodopent-4-enamide is C=CCCC(=O)NI.
What is the InChIKey of N-iodopent-4-enamide?
The InChIKey is AQDFKPMUCDPZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO/c1-2-3-4-5(8)7-6/h2H,1,3-4H2,(H,7,8).
What are the key properties of N-iodopent-4-enamide?
N-iodopent-4-enamide has a molecular weight of 225.03 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodopent-4-enamide is sourced from PubChem (CID 139404906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).