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

C10H17NO2 — CID 79667015

IUPAC1-(4-ethylmorpholin-2-yl)but-3-en-1-one
SMILESC=CCC(=O)C1CN(CC)CCO1
InChIInChI=1S/C10H17NO2/c1-3-5-9(12)10-8-11(4-2)6-7-13-10/h3,10H,1,4-8H2,2H3
InChIKeyWKFPGPVZUXDUKV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.85
Rot. Bonds4

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

1-(4-ethylmorpholin-2-yl)but-3-en-1-one (PubChem CID 79667015) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)but-3-en-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)but-3-en-1-one
PubChem CID79667015
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(4-ethylmorpholin-2-yl)but-3-en-1-one
SMILESC=CCC(=O)C1CN(CC)CCO1
InChIInChI=1S/C10H17NO2/c1-3-5-9(12)10-8-11(4-2)6-7-13-10/h3,10H,1,4-8H2,2H3
InChIKeyWKFPGPVZUXDUKV-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)but-3-en-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)but-3-en-1-one (CID 79667015) is 1-(4-ethylmorpholin-2-yl)but-3-en-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)but-3-en-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)but-3-en-1-one is C=CCC(=O)C1CN(CC)CCO1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)but-3-en-1-one?
The InChIKey is WKFPGPVZUXDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-9(12)10-8-11(4-2)6-7-13-10/h3,10H,1,4-8H2,2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)but-3-en-1-one?
1-(4-ethylmorpholin-2-yl)but-3-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.85, 4 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)but-3-en-1-one is sourced from PubChem (CID 79667015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).