4-but-3-enylmorpholine-3,5-dione

C8H11NO3 — CID 12825197

IUPAC4-but-3-enylmorpholine-3,5-dione
SMILESC=CCCN1C(=O)COCC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-4-9-7(10)5-12-6-8(9)11/h2H,1,3-6H2
InChIKeyZQZADPMCWPXWCD-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds3

About 4-but-3-enylmorpholine-3,5-dione

4-but-3-enylmorpholine-3,5-dione (PubChem CID 12825197) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-but-3-enylmorpholine-3,5-dione.

Molecular Properties

Compound Name4-but-3-enylmorpholine-3,5-dione
PubChem CID12825197
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-but-3-enylmorpholine-3,5-dione
SMILESC=CCCN1C(=O)COCC1=O
InChIInChI=1S/C8H11NO3/c1-2-3-4-9-7(10)5-12-6-8(9)11/h2H,1,3-6H2
InChIKeyZQZADPMCWPXWCD-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}, {'alert_name': 'phthalimide', '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
4-But-3-enoylmorpholin-3-one
CID 135001426
1-(3-Methoxymorpholin-4-yl)but-3-en-1-one
CID 135001984
5-Ethenyl-4-methylmorpholin-3-one
CID 53940232
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
(2S)-2-methyl-1-morpholin-4-ylbut-3-en-1-one
CID 121463184
4-Prop-2-enoylmorpholin-3-one
CID 142240658
1-Morpholin-4-yl-2-prop-2-enoxyethanone
CID 144763613

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enylmorpholine-3,5-dione?
The IUPAC name of 4-but-3-enylmorpholine-3,5-dione (CID 12825197) is 4-but-3-enylmorpholine-3,5-dione.
What is the SMILES notation for 4-but-3-enylmorpholine-3,5-dione?
The canonical SMILES for 4-but-3-enylmorpholine-3,5-dione is C=CCCN1C(=O)COCC1=O.
What is the InChIKey of 4-but-3-enylmorpholine-3,5-dione?
The InChIKey is ZQZADPMCWPXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-3-4-9-7(10)5-12-6-8(9)11/h2H,1,3-6H2.
What are the key properties of 4-but-3-enylmorpholine-3,5-dione?
4-but-3-enylmorpholine-3,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylmorpholine-3,5-dione is sourced from PubChem (CID 12825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).