but-2-enedioyl dichloride

C4H2Cl2O2 — CID 12324

IUPACbut-2-enedioyl dichloride
SMILESO=C(Cl)C=CC(=O)Cl
InChIInChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H
InChIKeyZLYYJUJDFKGVKB-UHFFFAOYSA-N
MW152.96 g/mol
LogP1.07
Rot. Bonds2

About but-2-enedioyl dichloride

but-2-enedioyl dichloride (PubChem CID 12324) has the molecular formula C4H2Cl2O2 and a molecular weight of 152.96 g/mol. Its IUPAC name is but-2-enedioyl dichloride.

Molecular Properties

Compound Namebut-2-enedioyl dichloride
PubChem CID12324
Molecular FormulaC4H2Cl2O2
Molecular Weight152.96 g/mol
Exact Mass151.94
IUPAC Namebut-2-enedioyl dichloride
SMILESO=C(Cl)C=CC(=O)Cl
InChIInChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H
InChIKeyZLYYJUJDFKGVKB-UHFFFAOYSA-N
XLogP1.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-enedioyl dichloride?
The IUPAC name of but-2-enedioyl dichloride (CID 12324) is but-2-enedioyl dichloride.
What is the SMILES notation for but-2-enedioyl dichloride?
The canonical SMILES for but-2-enedioyl dichloride is O=C(Cl)C=CC(=O)Cl.
What is the InChIKey of but-2-enedioyl dichloride?
The InChIKey is ZLYYJUJDFKGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H.
What are the key properties of but-2-enedioyl dichloride?
but-2-enedioyl dichloride has a molecular weight of 152.96 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioyl dichloride is sourced from PubChem (CID 12324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).