[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate

C10H15NO3 — CID 70411134

IUPAC[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate
SMILESCCCC(=O)OC/C(C)=C1/CNC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-9(12)14-6-7(2)8-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13)/b8-7-
InChIKeyYEHSHJQRRTVFDY-FPLPWBNLSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate

[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate (PubChem CID 70411134) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate.

Molecular Properties

Compound Name[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate
PubChem CID70411134
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate
SMILESCCCC(=O)OC/C(C)=C1/CNC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-9(12)14-6-7(2)8-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13)/b8-7-
InChIKeyYEHSHJQRRTVFDY-FPLPWBNLSA-N
XLogP0.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetyl butaneperoxoate;aziridin-2-one
CID 126720861
[(2Z)-2-[1-(4-cyclohexylbutanoyl)-2-oxoazetidin-3-ylidene]propyl] butanoate
CID 70411149
2-[1-(4-cyclohexylbutanoyl)-2-oxoazetidin-3-ylidene]propyl butanoate
CID 70411150
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
butane-2,3-dione;ethyl butanoate
CID 158568600
methane;methoxymethyl butanoate
CID 159855538
2-butanoyloxyethyl butanoate;methane
CID 161018761
dibutanoyl butanedioate
CID 88643975
chloromethyl butanoate
CID 2725008
methane;propyl butanoate
CID 157187060
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate?
The IUPAC name of [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate (CID 70411134) is [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate.
What is the SMILES notation for [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate?
The canonical SMILES for [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate is CCCC(=O)OC/C(C)=C1/CNC1=O.
What is the InChIKey of [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate?
The InChIKey is YEHSHJQRRTVFDY-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-9(12)14-6-7(2)8-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13)/b8-7-.
What are the key properties of [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate?
[(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(2-oxoazetidin-3-ylidene)propyl] butanoate is sourced from PubChem (CID 70411134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).