3-iodo-N-methylbut-2-enamide

C5H8INO — CID 75151971

IUPAC3-iodo-N-methylbut-2-enamide
SMILESCNC(=O)C=C(C)I
InChIInChI=1S/C5H8INO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8)
InChIKeyMOMCSFFZHZIGGH-UHFFFAOYSA-N
MW225.03 g/mol
LogP1.07
Rot. Bonds1

About 3-iodo-N-methylbut-2-enamide

3-iodo-N-methylbut-2-enamide (PubChem CID 75151971) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is 3-iodo-N-methylbut-2-enamide.

Molecular Properties

Compound Name3-iodo-N-methylbut-2-enamide
PubChem CID75151971
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name3-iodo-N-methylbut-2-enamide
SMILESCNC(=O)C=C(C)I
InChIInChI=1S/C5H8INO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8)
InChIKeyMOMCSFFZHZIGGH-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-iodo-N-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methylbut-2-enamide?
The IUPAC name of 3-iodo-N-methylbut-2-enamide (CID 75151971) is 3-iodo-N-methylbut-2-enamide.
What is the SMILES notation for 3-iodo-N-methylbut-2-enamide?
The canonical SMILES for 3-iodo-N-methylbut-2-enamide is CNC(=O)C=C(C)I.
What is the InChIKey of 3-iodo-N-methylbut-2-enamide?
The InChIKey is MOMCSFFZHZIGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO/c1-4(6)3-5(8)7-2/h3H,1-2H3,(H,7,8).
What are the key properties of 3-iodo-N-methylbut-2-enamide?
3-iodo-N-methylbut-2-enamide has a molecular weight of 225.03 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methylbut-2-enamide is sourced from PubChem (CID 75151971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).