N-(2-iodoethyl)-N-methylprop-2-enamide

C6H10INO — CID 90341310

IUPACN-(2-iodoethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCI
InChIInChI=1S/C6H10INO/c1-3-6(9)8(2)5-4-7/h3H,1,4-5H2,2H3
InChIKeyWVFCODMHPMWKHP-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.07
Rot. Bonds3

About N-(2-iodoethyl)-N-methylprop-2-enamide

N-(2-iodoethyl)-N-methylprop-2-enamide (PubChem CID 90341310) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is N-(2-iodoethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-iodoethyl)-N-methylprop-2-enamide
PubChem CID90341310
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC NameN-(2-iodoethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCI
InChIInChI=1S/C6H10INO/c1-3-6(9)8(2)5-4-7/h3H,1,4-5H2,2H3
InChIKeyWVFCODMHPMWKHP-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-N-methylprop-2-enamide?
The IUPAC name of N-(2-iodoethyl)-N-methylprop-2-enamide (CID 90341310) is N-(2-iodoethyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(2-iodoethyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(2-iodoethyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCI.
What is the InChIKey of N-(2-iodoethyl)-N-methylprop-2-enamide?
The InChIKey is WVFCODMHPMWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-3-6(9)8(2)5-4-7/h3H,1,4-5H2,2H3.
What are the key properties of N-(2-iodoethyl)-N-methylprop-2-enamide?
N-(2-iodoethyl)-N-methylprop-2-enamide has a molecular weight of 239.06 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 90341310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).