ethyl (E)-2-acetamido-5-iodopent-4-enoate

C9H14INO3 — CID 10870635

IUPACethyl (E)-2-acetamido-5-iodopent-4-enoate
SMILESCCOC(=O)C(C/C=C/I)NC(C)=O
InChIInChI=1S/C9H14INO3/c1-3-14-9(13)8(5-4-6-10)11-7(2)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b6-4+
InChIKeyACSJKFSRBBYDNR-GQCTYLIASA-N
MW311.12 g/mol
LogP1.39
Rot. Bonds5

About ethyl (E)-2-acetamido-5-iodopent-4-enoate

ethyl (E)-2-acetamido-5-iodopent-4-enoate (PubChem CID 10870635) has the molecular formula C9H14INO3 and a molecular weight of 311.12 g/mol. Its IUPAC name is ethyl (E)-2-acetamido-5-iodopent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-2-acetamido-5-iodopent-4-enoate
PubChem CID10870635
Molecular FormulaC9H14INO3
Molecular Weight311.12 g/mol
Exact Mass311.00
IUPAC Nameethyl (E)-2-acetamido-5-iodopent-4-enoate
SMILESCCOC(=O)C(C/C=C/I)NC(C)=O
InChIInChI=1S/C9H14INO3/c1-3-14-9(13)8(5-4-6-10)11-7(2)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b6-4+
InChIKeyACSJKFSRBBYDNR-GQCTYLIASA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-acetamido-5-iodopent-4-enoate?
The IUPAC name of ethyl (E)-2-acetamido-5-iodopent-4-enoate (CID 10870635) is ethyl (E)-2-acetamido-5-iodopent-4-enoate.
What is the SMILES notation for ethyl (E)-2-acetamido-5-iodopent-4-enoate?
The canonical SMILES for ethyl (E)-2-acetamido-5-iodopent-4-enoate is CCOC(=O)C(C/C=C/I)NC(C)=O.
What is the InChIKey of ethyl (E)-2-acetamido-5-iodopent-4-enoate?
The InChIKey is ACSJKFSRBBYDNR-GQCTYLIASA-N. The full InChI is InChI=1S/C9H14INO3/c1-3-14-9(13)8(5-4-6-10)11-7(2)12/h4,6,8H,3,5H2,1-2H3,(H,11,12)/b6-4+.
What are the key properties of ethyl (E)-2-acetamido-5-iodopent-4-enoate?
ethyl (E)-2-acetamido-5-iodopent-4-enoate has a molecular weight of 311.12 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-acetamido-5-iodopent-4-enoate is sourced from PubChem (CID 10870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).