2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one

C11H19NO2 — CID 20674242

IUPAC2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one
SMILESCCC(C(=O)N1CCOCC1)=C(C)C
InChIInChI=1S/C11H19NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h4-8H2,1-3H3
InChIKeyHWAGSMFNBQEJCI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one

2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 20674242) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one
PubChem CID20674242
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one
SMILESCCC(C(=O)N1CCOCC1)=C(C)C
InChIInChI=1S/C11H19NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h4-8H2,1-3H3
InChIKeyHWAGSMFNBQEJCI-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
CID 71897557
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
CID 101466463
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206
(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
CID 134897999
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-morpholin-4-ylmethanone
CID 20756948
2-Ethylidene-1-morpholin-4-ylhex-3-en-1-one
CID 85221879
(E)-2,3-dimethyl-4-morpholin-4-ylpent-2-enamide
CID 90151612
2-Methylidene-1-morpholin-4-ylbutan-1-one
CID 90856738
(E)-1-morpholin-4-yl-2-propan-2-ylbut-2-en-1-one
CID 117639843
2-Ethylidene-1-morpholin-4-ylpent-3-en-1-one
CID 123240254
1-Morpholin-4-yl-2-propan-2-ylbuta-2,3-dien-1-one
CID 123435891

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one (CID 20674242) is 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one is CCC(C(=O)N1CCOCC1)=C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is HWAGSMFNBQEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10(9(2)3)11(13)12-5-7-14-8-6-12/h4-8H2,1-3H3.
What are the key properties of 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one?
2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 20674242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).