(E)-but-2-enedial

C4H4O2 — CID 5287477

IUPAC(E)-but-2-enedial
SMILESO=C/C=C/C=O
InChIInChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
InChIKeyJGEMYUOFGVHXKV-OWOJBTEDSA-N
MW84.07 g/mol
LogP-0.06
Rot. Bonds2

About (E)-but-2-enedial

(E)-but-2-enedial (PubChem CID 5287477) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is (E)-but-2-enedial.

Molecular Properties

Compound Name(E)-but-2-enedial
PubChem CID5287477
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Name(E)-but-2-enedial
SMILESO=C/C=C/C=O
InChIInChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
InChIKeyJGEMYUOFGVHXKV-OWOJBTEDSA-N
XLogP-0.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
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 (E)-but-2-enedial?
The IUPAC name of (E)-but-2-enedial (CID 5287477) is (E)-but-2-enedial.
What is the SMILES notation for (E)-but-2-enedial?
The canonical SMILES for (E)-but-2-enedial is O=C/C=C/C=O.
What is the InChIKey of (E)-but-2-enedial?
The InChIKey is JGEMYUOFGVHXKV-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+.
What are the key properties of (E)-but-2-enedial?
(E)-but-2-enedial has a molecular weight of 84.07 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 (E)-but-2-enedial is sourced from PubChem (CID 5287477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).