(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one

C8H10INO3 — CID 177408329

IUPAC(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one
SMILESCC(=O)N1C/C(=C\I)OC(=O)C1C
InChIInChI=1S/C8H10INO3/c1-5-8(12)13-7(3-9)4-10(5)6(2)11/h3,5H,4H2,1-2H3/b7-3+
InChIKeyLESYVCPHXGVVAQ-XVNBXDOJSA-N
MW295.08 g/mol
LogP1.06
Rot. Bonds

About (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one

(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one (PubChem CID 177408329) has the molecular formula C8H10INO3 and a molecular weight of 295.08 g/mol. Its IUPAC name is (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one.

Molecular Properties

Compound Name(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one
PubChem CID177408329
Molecular FormulaC8H10INO3
Molecular Weight295.08 g/mol
Exact Mass294.97
IUPAC Name(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one
SMILESCC(=O)N1C/C(=C\I)OC(=O)C1C
InChIInChI=1S/C8H10INO3/c1-5-8(12)13-7(3-9)4-10(5)6(2)11/h3,5H,4H2,1-2H3/b7-3+
InChIKeyLESYVCPHXGVVAQ-XVNBXDOJSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one?
The IUPAC name of (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one (CID 177408329) is (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one.
What is the SMILES notation for (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one?
The canonical SMILES for (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one is CC(=O)N1C/C(=C\I)OC(=O)C1C.
What is the InChIKey of (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one?
The InChIKey is LESYVCPHXGVVAQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H10INO3/c1-5-8(12)13-7(3-9)4-10(5)6(2)11/h3,5H,4H2,1-2H3/b7-3+.
What are the key properties of (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one?
(6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one has a molecular weight of 295.08 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-acetyl-6-(iodomethylidene)-3-methylmorpholin-2-one is sourced from PubChem (CID 177408329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).