4-but-3-enoylmorpholin-3-one

C8H11NO3 — CID 135001426

IUPAC4-but-3-enoylmorpholin-3-one
SMILESC=CCC(=O)N1CCOCC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-7(10)9-4-5-12-6-8(9)11/h2H,1,3-6H2
InChIKeyCCZVCJZBJRLKJS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds2

About 4-but-3-enoylmorpholin-3-one

4-but-3-enoylmorpholin-3-one (PubChem CID 135001426) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-but-3-enoylmorpholin-3-one.

Molecular Properties

Compound Name4-but-3-enoylmorpholin-3-one
PubChem CID135001426
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-but-3-enoylmorpholin-3-one
SMILESC=CCC(=O)N1CCOCC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-7(10)9-4-5-12-6-8(9)11/h2H,1,3-6H2
InChIKeyCCZVCJZBJRLKJS-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
Morpholine, 4-(1-oxo-3-butenyl)-
CID 11480569
Allyl morpholinone
CID 69109877
1-(3-Methoxymorpholin-4-yl)but-3-en-1-one
CID 135001984
1-Morpholin-4-ylpenta-3,4-dien-1-one
CID 57268206
4-Prop-2-enylmorpholine-3,5-dione
CID 69089378
2-Methyl-1-morpholin-4-ylbut-3-en-1-one
CID 91570636
1-(2,6-Dimethylmorpholin-4-yl)but-3-en-1-one
CID 118305335
(2S)-2-methyl-1-morpholin-4-ylbut-3-en-1-one
CID 121463184
4-Methyl-2-prop-2-enylmorpholin-3-one
CID 141957621
1-Morpholin-4-yl-2-prop-2-enoxyethanone
CID 144763613
1-morpholin-4-yl(114C)but-3-en-1-one
CID 173039027

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoylmorpholin-3-one?
The IUPAC name of 4-but-3-enoylmorpholin-3-one (CID 135001426) is 4-but-3-enoylmorpholin-3-one.
What is the SMILES notation for 4-but-3-enoylmorpholin-3-one?
The canonical SMILES for 4-but-3-enoylmorpholin-3-one is C=CCC(=O)N1CCOCC1=O.
What is the InChIKey of 4-but-3-enoylmorpholin-3-one?
The InChIKey is CCZVCJZBJRLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-7(10)9-4-5-12-6-8(9)11/h2H,1,3-6H2.
What are the key properties of 4-but-3-enoylmorpholin-3-one?
4-but-3-enoylmorpholin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoylmorpholin-3-one is sourced from PubChem (CID 135001426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).