(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

C8H14INO3 — CID 20767033

IUPAC(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)C(O)C/C=C(/C)I
InChIInChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-
InChIKeyWBFLLRJXDGMTKO-XQRVVYSFSA-N
MW299.11 g/mol
LogP1.10
Rot. Bonds4

About (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide

(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (PubChem CID 20767033) has the molecular formula C8H14INO3 and a molecular weight of 299.11 g/mol. Its IUPAC name is (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
PubChem CID20767033
Molecular FormulaC8H14INO3
Molecular Weight299.11 g/mol
Exact Mass299.00
IUPAC Name(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
SMILESCON(C)C(=O)C(O)C/C=C(/C)I
InChIInChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-
InChIKeyWBFLLRJXDGMTKO-XQRVVYSFSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The IUPAC name of (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide (CID 20767033) is (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide.
What is the SMILES notation for (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The canonical SMILES for (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is CON(C)C(=O)C(O)C/C=C(/C)I.
What is the InChIKey of (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
The InChIKey is WBFLLRJXDGMTKO-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14INO3/c1-6(9)4-5-7(11)8(12)10(2)13-3/h4,7,11H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide?
(Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide has a molecular weight of 299.11 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide is sourced from PubChem (CID 20767033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).