2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione

C14H19NO4 — CID 176564538

IUPAC2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione
SMILESC=C1CC(=O)CC(CC)(C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C14H19NO4/c1-3-14(9-11(16)8-10(2)12(14)17)13(18)15-4-6-19-7-5-15/h2-9H2,1H3
InChIKeyQQKQYAQHWZEISX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.73
Rot. Bonds2

About 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione

2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione (PubChem CID 176564538) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione.

Molecular Properties

Compound Name2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione
PubChem CID176564538
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione
SMILESC=C1CC(=O)CC(CC)(C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C14H19NO4/c1-3-14(9-11(16)8-10(2)12(14)17)13(18)15-4-6-19-7-5-15/h2-9H2,1H3
InChIKeyQQKQYAQHWZEISX-UHFFFAOYSA-N
XLogP0.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione?
The IUPAC name of 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione (CID 176564538) is 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione.
What is the SMILES notation for 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione?
The canonical SMILES for 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione is C=C1CC(=O)CC(CC)(C(=O)N2CCOCC2)C1=O.
What is the InChIKey of 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione?
The InChIKey is QQKQYAQHWZEISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-14(9-11(16)8-10(2)12(14)17)13(18)15-4-6-19-7-5-15/h2-9H2,1H3.
What are the key properties of 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione?
2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione is sourced from PubChem (CID 176564538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).