but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate

C11H15NO5 — CID 10800127

IUPACbut-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate
SMILESC=CCCOC(=O)CN1C(=O)CC1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-3-4-5-16-11(15)7-12-9(14)6-10(12)17-8(2)13/h3,10H,1,4-7H2,2H3
InChIKeyRFCVMUWAFLVAQA-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.23
Rot. Bonds6

About but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate

but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate (PubChem CID 10800127) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate.

Molecular Properties

Compound Namebut-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate
PubChem CID10800127
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namebut-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate
SMILESC=CCCOC(=O)CN1C(=O)CC1OC(C)=O
InChIInChI=1S/C11H15NO5/c1-3-4-5-16-11(15)7-12-9(14)6-10(12)17-8(2)13/h3,10H,1,4-7H2,2H3
InChIKeyRFCVMUWAFLVAQA-UHFFFAOYSA-N
XLogP0.23
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
CID 139646465
2-methoxyethyl 2-[(3aR,6aS)-4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]acetate
CID 169317814
3-but-3-enoxy-3-oxopropanoic acid
CID 87604674
but-3-enyl 2-cyclopenta-1,3-dien-1-ylacetate
CID 13062575
but-3-enyl hept-6-enoate
CID 86101121
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
methyl (E)-4-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]oxybut-2-enoate
CID 12692439
pent-4-enyl 2-[1,3,5,7-tetraoxo-2-(2-oxo-2-pent-4-enoxyethyl)pyrrolo[3,4-f]isoindol-6-yl]acetate
CID 102244841
propyl 2-[2,4,6-trioxo-3,5-bis(2-oxo-2-prop-2-enoxyethyl)-1,3,5-triazinan-1-yl]acetate
CID 162165113
bis(but-3-enyl) 2-methylpropanedioate
CID 90481204

Frequently Asked Questions

What is the IUPAC name of but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate?
The IUPAC name of but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate (CID 10800127) is but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate.
What is the SMILES notation for but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate?
The canonical SMILES for but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate is C=CCCOC(=O)CN1C(=O)CC1OC(C)=O.
What is the InChIKey of but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate?
The InChIKey is RFCVMUWAFLVAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-4-5-16-11(15)7-12-9(14)6-10(12)17-8(2)13/h3,10H,1,4-7H2,2H3.
What are the key properties of but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate?
but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate has a molecular weight of 241.24 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate is sourced from PubChem (CID 10800127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).