but-3-enal;cobalt

C4H6CoO — CID 87178238

IUPACbut-3-enal;cobalt
SMILESC=CCC=O.[Co]
InChIInChI=1S/C4H6O.Co/c1-2-3-4-5;/h2,4H,1,3H2;
InChIKeyCQDGECQENXBFGY-UHFFFAOYSA-N
MW129.02 g/mol
LogP0.76
Rot. Bonds2

About but-3-enal;cobalt

but-3-enal;cobalt (PubChem CID 87178238) has the molecular formula C4H6CoO and a molecular weight of 129.02 g/mol. Its IUPAC name is but-3-enal;cobalt.

Molecular Properties

Compound Namebut-3-enal;cobalt
PubChem CID87178238
Molecular FormulaC4H6CoO
Molecular Weight129.02 g/mol
Exact Mass128.98
IUPAC Namebut-3-enal;cobalt
SMILESC=CCC=O.[Co]
InChIInChI=1S/C4H6O.Co/c1-2-3-4-5;/h2,4H,1,3H2;
InChIKeyCQDGECQENXBFGY-UHFFFAOYSA-N
XLogP0.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.02
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 172843840
CID 172843840
but-3-enal;1H-indole
CID 87814058
pent-4-enal
CID 16418
sodium;hydride;propanedial
CID 173359182
N-penta-1,4-dienylformamide
CID 174468643
N-[(1E)-penta-1,4-dienyl]formamide
CID 143527082
CID 12603478
CID 12603478
henicos-20-enal
CID 14559831
tridec-12-enal
CID 57284057
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
formic acid;hexa-1,5-diene
CID 174904293
2-bromo-2-prop-2-enylpent-4-enal
CID 174833072

Frequently Asked Questions

What is the IUPAC name of but-3-enal;cobalt?
The IUPAC name of but-3-enal;cobalt (CID 87178238) is but-3-enal;cobalt.
What is the SMILES notation for but-3-enal;cobalt?
The canonical SMILES for but-3-enal;cobalt is C=CCC=O.[Co].
What is the InChIKey of but-3-enal;cobalt?
The InChIKey is CQDGECQENXBFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.Co/c1-2-3-4-5;/h2,4H,1,3H2;.
What are the key properties of but-3-enal;cobalt?
but-3-enal;cobalt has a molecular weight of 129.02 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enal;cobalt is sourced from PubChem (CID 87178238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).