[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate

C8H11NO3 — CID 12874029

IUPAC[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate
SMILESCC(=O)O/C=C/C1(C)CC(=O)N1
InChIInChI=1S/C8H11NO3/c1-6(10)12-4-3-8(2)5-7(11)9-8/h3-4H,5H2,1-2H3,(H,9,11)/b4-3+
InChIKeyYSXCBVQIDOBDNH-ONEGZZNKSA-N
MW169.18 g/mol
LogP0.34
Rot. Bonds2

About [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate

[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate (PubChem CID 12874029) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate.

Molecular Properties

Compound Name[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate
PubChem CID12874029
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate
SMILESCC(=O)O/C=C/C1(C)CC(=O)N1
InChIInChI=1S/C8H11NO3/c1-6(10)12-4-3-8(2)5-7(11)9-8/h3-4H,5H2,1-2H3,(H,9,11)/b4-3+
InChIKeyYSXCBVQIDOBDNH-ONEGZZNKSA-N
XLogP0.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-4-oxoazetidin-2-yl)propan-2-yl acetate
CID 23461785
[(E)-2-(2,2,6-trimethyl-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-1-yl)ethenyl] acetate
CID 5363636
[(E)-prop-1-enyl] acetate
CID 637917
S-[(2-methyl-4-oxoazetidin-2-yl)methyl] ethanethioate
CID 155819895
[(E)-2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]ethenyl] acetate
CID 11745897
4-acetyl-4-aminopyrrolidin-2-one
CID 59817381
(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide
CID 124930511
2-methoxycarbonyl-4-oxoazetidine-2-carboxylic acid
CID 154132835
ethenyl acetate;pyrrole-2,5-dione
CID 22164001
4-(methoxymethyl)-4-methylazetidin-2-one
CID 64665365
acetamide;imidazolidine-2,4-dione
CID 159110028
4-ethoxy-4-methylazetidin-2-one
CID 141017453

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate?
The IUPAC name of [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate (CID 12874029) is [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate.
What is the SMILES notation for [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate?
The canonical SMILES for [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate is CC(=O)O/C=C/C1(C)CC(=O)N1.
What is the InChIKey of [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate?
The InChIKey is YSXCBVQIDOBDNH-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)12-4-3-8(2)5-7(11)9-8/h3-4H,5H2,1-2H3,(H,9,11)/b4-3+.
What are the key properties of [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate?
[(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate has a molecular weight of 169.18 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2-methyl-4-oxoazetidin-2-yl)ethenyl] acetate is sourced from PubChem (CID 12874029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).