methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate

C15H17NO3 — CID 134920482

IUPACmethyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate
SMILESCOC(=O)/C=C1\C(=O)N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C15H17NO3/c1-15(2)12(9-13(17)19-3)14(18)16(15)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+
InChIKeyWUPQPWGYPQSOEO-FMIVXFBMSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds3

About methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate

methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate (PubChem CID 134920482) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate
PubChem CID134920482
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate
SMILESCOC(=O)/C=C1\C(=O)N(Cc2ccccc2)C1(C)C
InChIInChI=1S/C15H17NO3/c1-15(2)12(9-13(17)19-3)14(18)16(15)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+
InChIKeyWUPQPWGYPQSOEO-FMIVXFBMSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate (CID 134920482) is methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate is COC(=O)/C=C1\C(=O)N(Cc2ccccc2)C1(C)C.
What is the InChIKey of methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate?
The InChIKey is WUPQPWGYPQSOEO-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2)12(9-13(17)19-3)14(18)16(15)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3/b12-9+.
What are the key properties of methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate?
methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate has a molecular weight of 259.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(1-benzyl-2,2-dimethyl-4-oxoazetidin-3-ylidene)acetate is sourced from PubChem (CID 134920482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).