4-morpholin-4-ylpent-3-en-2-one

C9H15NO2 — CID 592427

IUPAC4-morpholin-4-ylpent-3-en-2-one
SMILESCC(=O)C=C(C)N1CCOCC1
InChIInChI=1S/C9H15NO2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3
InChIKeyZDACEIWIDHEAHW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

About 4-morpholin-4-ylpent-3-en-2-one

4-morpholin-4-ylpent-3-en-2-one (PubChem CID 592427) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-morpholin-4-ylpent-3-en-2-one.

Molecular Properties

Compound Name4-morpholin-4-ylpent-3-en-2-one
PubChem CID592427
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-morpholin-4-ylpent-3-en-2-one
SMILESCC(=O)C=C(C)N1CCOCC1
InChIInChI=1S/C9H15NO2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3
InChIKeyZDACEIWIDHEAHW-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
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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Related Compounds

(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 6510007
(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 2290884
1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
CID 101259719
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
N-acetylmorpholine-4-carboxamide
CID 102407930

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpent-3-en-2-one?
The IUPAC name of 4-morpholin-4-ylpent-3-en-2-one (CID 592427) is 4-morpholin-4-ylpent-3-en-2-one.
What is the SMILES notation for 4-morpholin-4-ylpent-3-en-2-one?
The canonical SMILES for 4-morpholin-4-ylpent-3-en-2-one is CC(=O)C=C(C)N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylpent-3-en-2-one?
The InChIKey is ZDACEIWIDHEAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(7-9(2)11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-morpholin-4-ylpent-3-en-2-one?
4-morpholin-4-ylpent-3-en-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpent-3-en-2-one is sourced from PubChem (CID 592427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).