1-(4-ethylmorpholin-2-yl)prop-2-en-1-one

C9H15NO2 — CID 79666331

IUPAC1-(4-ethylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(CC)CCO1
InChIInChI=1S/C9H15NO2/c1-3-8(11)9-7-10(4-2)5-6-12-9/h3,9H,1,4-7H2,2H3
InChIKeyYOWDJJRLVUCKGR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.46
Rot. Bonds3

About 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one

1-(4-ethylmorpholin-2-yl)prop-2-en-1-one (PubChem CID 79666331) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)prop-2-en-1-one
PubChem CID79666331
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(4-ethylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(CC)CCO1
InChIInChI=1S/C9H15NO2/c1-3-8(11)9-7-10(4-2)5-6-12-9/h3,9H,1,4-7H2,2H3
InChIKeyYOWDJJRLVUCKGR-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.46
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)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one (CID 79666331) is 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one is C=CC(=O)C1CN(CC)CCO1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one?
The InChIKey is YOWDJJRLVUCKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8(11)9-7-10(4-2)5-6-12-9/h3,9H,1,4-7H2,2H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)prop-2-en-1-one?
1-(4-ethylmorpholin-2-yl)prop-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.46, 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)prop-2-en-1-one is sourced from PubChem (CID 79666331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).