(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one

C15H27NO2 — CID 130219115

IUPAC(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one
SMILESCCCC(C)(CC)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C15H27NO2/c1-4-8-15(3,5-2)14(17)7-6-9-16-10-12-18-13-11-16/h6-7H,4-5,8-13H2,1-3H3/b7-6+
InChIKeyFESYIJFMDGGGHW-VOTSOKGWSA-N
MW253.39 g/mol
LogP2.66
Rot. Bonds7

About (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one

(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one (PubChem CID 130219115) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one.

Molecular Properties

Compound Name(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one
PubChem CID130219115
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one
SMILESCCCC(C)(CC)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C15H27NO2/c1-4-8-15(3,5-2)14(17)7-6-9-16-10-12-18-13-11-16/h6-7H,4-5,8-13H2,1-3H3/b7-6+
InChIKeyFESYIJFMDGGGHW-VOTSOKGWSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one?
The IUPAC name of (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one (CID 130219115) is (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one.
What is the SMILES notation for (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one?
The canonical SMILES for (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one is CCCC(C)(CC)C(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one?
The InChIKey is FESYIJFMDGGGHW-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-8-15(3,5-2)14(17)7-6-9-16-10-12-18-13-11-16/h6-7H,4-5,8-13H2,1-3H3/b7-6+.
What are the key properties of (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one?
(E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one has a molecular weight of 253.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-5-methyl-1-morpholin-4-yloct-2-en-4-one is sourced from PubChem (CID 130219115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).