1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one

C11H19NO2 — CID 79667262

IUPAC1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
SMILESCCN1CCOC(C(=O)C=C(C)C)C1
InChIInChI=1S/C11H19NO2/c1-4-12-5-6-14-11(8-12)10(13)7-9(2)3/h7,11H,4-6,8H2,1-3H3
InChIKeyDTXKDTXYYXBDDD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.24
Rot. Bonds3

About 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one

1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one (PubChem CID 79667262) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
PubChem CID79667262
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one
SMILESCCN1CCOC(C(=O)C=C(C)C)C1
InChIInChI=1S/C11H19NO2/c1-4-12-5-6-14-11(8-12)10(13)7-9(2)3/h7,11H,4-6,8H2,1-3H3
InChIKeyDTXKDTXYYXBDDD-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.24
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 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one (CID 79667262) is 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one is CCN1CCOC(C(=O)C=C(C)C)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one?
The InChIKey is DTXKDTXYYXBDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-12-5-6-14-11(8-12)10(13)7-9(2)3/h7,11H,4-6,8H2,1-3H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one?
1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-3-methylbut-2-en-1-one is sourced from PubChem (CID 79667262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).