2-methylprop-2-enamide;1,3,5-triiodobenzene

C10H10I3NO — CID 174608066

IUPAC2-methylprop-2-enamide;1,3,5-triiodobenzene
SMILESC=C(C)C(N)=O.Ic1cc(I)cc(I)c1
InChIInChI=1S/C6H3I3.C4H7NO/c7-4-1-5(8)3-6(9)2-4;1-3(2)4(5)6/h1-3H;1H2,2H3,(H2,5,6)
InChIKeyNMPJVSGPMJSGMI-UHFFFAOYSA-N
MW540.91 g/mol
LogP3.55
Rot. Bonds1

About 2-methylprop-2-enamide;1,3,5-triiodobenzene

2-methylprop-2-enamide;1,3,5-triiodobenzene (PubChem CID 174608066) has the molecular formula C10H10I3NO and a molecular weight of 540.91 g/mol. Its IUPAC name is 2-methylprop-2-enamide;1,3,5-triiodobenzene.

Molecular Properties

Compound Name2-methylprop-2-enamide;1,3,5-triiodobenzene
PubChem CID174608066
Molecular FormulaC10H10I3NO
Molecular Weight540.91 g/mol
Exact Mass540.79
IUPAC Name2-methylprop-2-enamide;1,3,5-triiodobenzene
SMILESC=C(C)C(N)=O.Ic1cc(I)cc(I)c1
InChIInChI=1S/C6H3I3.C4H7NO/c7-4-1-5(8)3-6(9)2-4;1-3(2)4(5)6/h1-3H;1H2,2H3,(H2,5,6)
InChIKeyNMPJVSGPMJSGMI-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.91
LogP ≤ 53.55
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'}

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Related Compounds

2-methylprop-2-enamide;hydrate
CID 88749193
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
sodium;2-methylprop-2-enamide;propane
CID 159451329
ethenol;2-methylprop-2-enamide
CID 87880771
bis(2-methylprop-2-enamide);phthalic acid
CID 161166045
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
(3,5-diiodo-2-methylphenyl) 2-methylprop-2-enoate
CID 170657693
2-(3,5-diiodophenyl)butan-2-yl 2-methylprop-2-enoate
CID 140917265
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;1,3,5-triiodobenzene?
The IUPAC name of 2-methylprop-2-enamide;1,3,5-triiodobenzene (CID 174608066) is 2-methylprop-2-enamide;1,3,5-triiodobenzene.
What is the SMILES notation for 2-methylprop-2-enamide;1,3,5-triiodobenzene?
The canonical SMILES for 2-methylprop-2-enamide;1,3,5-triiodobenzene is C=C(C)C(N)=O.Ic1cc(I)cc(I)c1.
What is the InChIKey of 2-methylprop-2-enamide;1,3,5-triiodobenzene?
The InChIKey is NMPJVSGPMJSGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I3.C4H7NO/c7-4-1-5(8)3-6(9)2-4;1-3(2)4(5)6/h1-3H;1H2,2H3,(H2,5,6).
What are the key properties of 2-methylprop-2-enamide;1,3,5-triiodobenzene?
2-methylprop-2-enamide;1,3,5-triiodobenzene has a molecular weight of 540.91 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;1,3,5-triiodobenzene is sourced from PubChem (CID 174608066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).