2-ethylidene-1-morpholin-4-ylhex-3-en-1-one

C12H19NO2 — CID 85221879

IUPAC2-ethylidene-1-morpholin-4-ylhex-3-en-1-one
SMILESCC=C(C=CCC)C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-3-5-6-11(4-2)12(14)13-7-9-15-10-8-13/h4-6H,3,7-10H2,1-2H3
InChIKeyJFROTGTYHXULLM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds3

About 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one

2-ethylidene-1-morpholin-4-ylhex-3-en-1-one (PubChem CID 85221879) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one.

Molecular Properties

Compound Name2-ethylidene-1-morpholin-4-ylhex-3-en-1-one
PubChem CID85221879
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-ethylidene-1-morpholin-4-ylhex-3-en-1-one
SMILESCC=C(C=CCC)C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO2/c1-3-5-6-11(4-2)12(14)13-7-9-15-10-8-13/h4-6H,3,7-10H2,1-2H3
InChIKeyJFROTGTYHXULLM-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one?
The IUPAC name of 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one (CID 85221879) is 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one.
What is the SMILES notation for 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one?
The canonical SMILES for 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one is CC=C(C=CCC)C(=O)N1CCOCC1.
What is the InChIKey of 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one?
The InChIKey is JFROTGTYHXULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-5-6-11(4-2)12(14)13-7-9-15-10-8-13/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one?
2-ethylidene-1-morpholin-4-ylhex-3-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-morpholin-4-ylhex-3-en-1-one is sourced from PubChem (CID 85221879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).