(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one

C10H14INO3 — CID 177449612

IUPAC(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one
SMILESCC(=O)N1C/C(=C\I)OC(=O)C1C(C)C
InChIInChI=1S/C10H14INO3/c1-6(2)9-10(14)15-8(4-11)5-12(9)7(3)13/h4,6,9H,5H2,1-3H3/b8-4+
InChIKeyRKVAKYZPZLOUQZ-XBXARRHUSA-N
MW323.13 g/mol
LogP1.69
Rot. Bonds1

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

(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one (PubChem CID 177449612) has the molecular formula C10H14INO3 and a molecular weight of 323.13 g/mol. Its IUPAC name is (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one.

Molecular Properties

Compound Name(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one
PubChem CID177449612
Molecular FormulaC10H14INO3
Molecular Weight323.13 g/mol
Exact Mass323.00
IUPAC Name(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one
SMILESCC(=O)N1C/C(=C\I)OC(=O)C1C(C)C
InChIInChI=1S/C10H14INO3/c1-6(2)9-10(14)15-8(4-11)5-12(9)7(3)13/h4,6,9H,5H2,1-3H3/b8-4+
InChIKeyRKVAKYZPZLOUQZ-XBXARRHUSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 51.69
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-propan-2-ylmorpholin-2-one?
The IUPAC name of (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one (CID 177449612) is (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one.
What is the SMILES notation for (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one?
The canonical SMILES for (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one is CC(=O)N1C/C(=C\I)OC(=O)C1C(C)C.
What is the InChIKey of (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one?
The InChIKey is RKVAKYZPZLOUQZ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H14INO3/c1-6(2)9-10(14)15-8(4-11)5-12(9)7(3)13/h4,6,9H,5H2,1-3H3/b8-4+.
What are the key properties of (6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one?
(6E)-4-acetyl-6-(iodomethylidene)-3-propan-2-ylmorpholin-2-one has a molecular weight of 323.13 g/mol, XLogP of 1.69, 1 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-propan-2-ylmorpholin-2-one is sourced from PubChem (CID 177449612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).