but-2-enedial;copper

C4H4CuO2 — CID 174314977

IUPACbut-2-enedial;copper
SMILESO=CC=CC=O.[Cu]
InChIInChI=1S/C4H4O2.Cu/c5-3-1-2-4-6;/h1-4H;
InChIKeyJJZZLDBMYMJUPZ-UHFFFAOYSA-N
MW147.62 g/mol
LogP-0.06
Rot. Bonds2

About but-2-enedial;copper

but-2-enedial;copper (PubChem CID 174314977) has the molecular formula C4H4CuO2 and a molecular weight of 147.62 g/mol. Its IUPAC name is but-2-enedial;copper.

Molecular Properties

Compound Namebut-2-enedial;copper
PubChem CID174314977
Molecular FormulaC4H4CuO2
Molecular Weight147.62 g/mol
Exact Mass146.95
IUPAC Namebut-2-enedial;copper
SMILESO=CC=CC=O.[Cu]
InChIInChI=1S/C4H4O2.Cu/c5-3-1-2-4-6;/h1-4H;
InChIKeyJJZZLDBMYMJUPZ-UHFFFAOYSA-N
XLogP-0.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.62
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-enedial;copper?
The IUPAC name of but-2-enedial;copper (CID 174314977) is but-2-enedial;copper.
What is the SMILES notation for but-2-enedial;copper?
The canonical SMILES for but-2-enedial;copper is O=CC=CC=O.[Cu].
What is the InChIKey of but-2-enedial;copper?
The InChIKey is JJZZLDBMYMJUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.Cu/c5-3-1-2-4-6;/h1-4H;.
What are the key properties of but-2-enedial;copper?
but-2-enedial;copper has a molecular weight of 147.62 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedial;copper is sourced from PubChem (CID 174314977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).