methyl (Z)-2-acetamido-3-iodoprop-2-enoate

C6H8INO3 — CID 15940885

IUPACmethyl (Z)-2-acetamido-3-iodoprop-2-enoate
SMILESCOC(=O)/C(=C/I)NC(C)=O
InChIInChI=1S/C6H8INO3/c1-4(9)8-5(3-7)6(10)11-2/h3H,1-2H3,(H,8,9)/b5-3-
InChIKeyDZEUFEYYPYNFDY-HYXAFXHYSA-N
MW269.04 g/mol
LogP0.57
Rot. Bonds2

About methyl (Z)-2-acetamido-3-iodoprop-2-enoate

methyl (Z)-2-acetamido-3-iodoprop-2-enoate (PubChem CID 15940885) has the molecular formula C6H8INO3 and a molecular weight of 269.04 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-3-iodoprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-acetamido-3-iodoprop-2-enoate
PubChem CID15940885
Molecular FormulaC6H8INO3
Molecular Weight269.04 g/mol
Exact Mass268.95
IUPAC Namemethyl (Z)-2-acetamido-3-iodoprop-2-enoate
SMILESCOC(=O)/C(=C/I)NC(C)=O
InChIInChI=1S/C6H8INO3/c1-4(9)8-5(3-7)6(10)11-2/h3H,1-2H3,(H,8,9)/b5-3-
InChIKeyDZEUFEYYPYNFDY-HYXAFXHYSA-N
XLogP0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.04
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl (Z)-2-acetamido-3-iodoprop-2-enoate?
The IUPAC name of methyl (Z)-2-acetamido-3-iodoprop-2-enoate (CID 15940885) is methyl (Z)-2-acetamido-3-iodoprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-acetamido-3-iodoprop-2-enoate?
The canonical SMILES for methyl (Z)-2-acetamido-3-iodoprop-2-enoate is COC(=O)/C(=C/I)NC(C)=O.
What is the InChIKey of methyl (Z)-2-acetamido-3-iodoprop-2-enoate?
The InChIKey is DZEUFEYYPYNFDY-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8INO3/c1-4(9)8-5(3-7)6(10)11-2/h3H,1-2H3,(H,8,9)/b5-3-.
What are the key properties of methyl (Z)-2-acetamido-3-iodoprop-2-enoate?
methyl (Z)-2-acetamido-3-iodoprop-2-enoate has a molecular weight of 269.04 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-acetamido-3-iodoprop-2-enoate is sourced from PubChem (CID 15940885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).