2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one

C13H23NO2 — CID 129252517

IUPAC2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-4-7-13(5-2,6-3)12(15)14-8-10-16-11-9-14/h4H,1,5-11H2,2-3H3
InChIKeyLNDQAVIDORXOFL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds5

About 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one

2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 129252517) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID129252517
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CCC(CC)(CC)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-4-7-13(5-2,6-3)12(15)14-8-10-16-11-9-14/h4H,1,5-11H2,2-3H3
InChIKeyLNDQAVIDORXOFL-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one (CID 129252517) is 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one is C=CCC(CC)(CC)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is LNDQAVIDORXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-7-13(5-2,6-3)12(15)14-8-10-16-11-9-14/h4H,1,5-11H2,2-3H3.
What are the key properties of 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one?
2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 129252517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).