2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one

C11H15NO2 — CID 123850567

IUPAC2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESC=CC=C(C=C)C(=O)N1CCOCC1
InChIInChI=1S/C11H15NO2/c1-3-5-10(4-2)11(13)12-6-8-14-9-7-12/h3-5H,1-2,6-9H2
InChIKeyCXZPALVVGUMVQI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds3

About 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one

2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one (PubChem CID 123850567) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one
PubChem CID123850567
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESC=CC=C(C=C)C(=O)N1CCOCC1
InChIInChI=1S/C11H15NO2/c1-3-5-10(4-2)11(13)12-6-8-14-9-7-12/h3-5H,1-2,6-9H2
InChIKeyCXZPALVVGUMVQI-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
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-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The IUPAC name of 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one (CID 123850567) is 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one.
What is the SMILES notation for 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The canonical SMILES for 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one is C=CC=C(C=C)C(=O)N1CCOCC1.
What is the InChIKey of 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
The InChIKey is CXZPALVVGUMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-10(4-2)11(13)12-6-8-14-9-7-12/h3-5H,1-2,6-9H2.
What are the key properties of 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one?
2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-morpholin-4-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 123850567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).