N-[(E)-2-iodoethenyl]-N-methylacetamide

C5H8INO — CID 139241090

IUPACN-[(E)-2-iodoethenyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/I
InChIInChI=1S/C5H8INO/c1-5(8)7(2)4-3-6/h3-4H,1-2H3/b4-3+
InChIKeyJKGUEQXPSGJJDC-ONEGZZNKSA-N
MW225.03 g/mol
LogP1.37
Rot. Bonds1

About N-[(E)-2-iodoethenyl]-N-methylacetamide

N-[(E)-2-iodoethenyl]-N-methylacetamide (PubChem CID 139241090) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is N-[(E)-2-iodoethenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(E)-2-iodoethenyl]-N-methylacetamide
PubChem CID139241090
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC NameN-[(E)-2-iodoethenyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/I
InChIInChI=1S/C5H8INO/c1-5(8)7(2)4-3-6/h3-4H,1-2H3/b4-3+
InChIKeyJKGUEQXPSGJJDC-ONEGZZNKSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 51.37
H-Bond Donors ≤ 50
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 N-[(E)-2-iodoethenyl]-N-methylacetamide?
The IUPAC name of N-[(E)-2-iodoethenyl]-N-methylacetamide (CID 139241090) is N-[(E)-2-iodoethenyl]-N-methylacetamide.
What is the SMILES notation for N-[(E)-2-iodoethenyl]-N-methylacetamide?
The canonical SMILES for N-[(E)-2-iodoethenyl]-N-methylacetamide is CC(=O)N(C)/C=C/I.
What is the InChIKey of N-[(E)-2-iodoethenyl]-N-methylacetamide?
The InChIKey is JKGUEQXPSGJJDC-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8INO/c1-5(8)7(2)4-3-6/h3-4H,1-2H3/b4-3+.
What are the key properties of N-[(E)-2-iodoethenyl]-N-methylacetamide?
N-[(E)-2-iodoethenyl]-N-methylacetamide has a molecular weight of 225.03 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-iodoethenyl]-N-methylacetamide is sourced from PubChem (CID 139241090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).