2-selanylpropanal

C3H6OSe — CID 150189076

IUPAC2-selanylpropanal
SMILESCC([SeH])C=O
InChIInChI=1S/C3H6OSe/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyFNBDGJYPCPWKES-UHFFFAOYSA-N
MW137.04 g/mol
LogP-0.11
Rot. Bonds1

About 2-selanylpropanal

2-selanylpropanal (PubChem CID 150189076) has the molecular formula C3H6OSe and a molecular weight of 137.04 g/mol. Its IUPAC name is 2-selanylpropanal.

Molecular Properties

Compound Name2-selanylpropanal
PubChem CID150189076
Molecular FormulaC3H6OSe
Molecular Weight137.04 g/mol
Exact Mass137.96
IUPAC Name2-selanylpropanal
SMILESCC([SeH])C=O
InChIInChI=1S/C3H6OSe/c1-3(5)2-4/h2-3,5H,1H3
InChIKeyFNBDGJYPCPWKES-UHFFFAOYSA-N
XLogP-0.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.04
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-selanylpropanal?
The IUPAC name of 2-selanylpropanal (CID 150189076) is 2-selanylpropanal.
What is the SMILES notation for 2-selanylpropanal?
The canonical SMILES for 2-selanylpropanal is CC([SeH])C=O.
What is the InChIKey of 2-selanylpropanal?
The InChIKey is FNBDGJYPCPWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OSe/c1-3(5)2-4/h2-3,5H,1H3.
What are the key properties of 2-selanylpropanal?
2-selanylpropanal has a molecular weight of 137.04 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-selanylpropanal is sourced from PubChem (CID 150189076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).