2-(1,3-diselenol-2-ylidene)propanedial

C6H4O2Se2 — CID 11065363

IUPAC2-(1,3-diselenol-2-ylidene)propanedial
SMILESO=CC(C=O)=C1[Se]C=C[Se]1
InChIInChI=1S/C6H4O2Se2/c7-3-5(4-8)6-9-1-2-10-6/h1-4H
InChIKeySYARMXNFBFBIHY-UHFFFAOYSA-N
MW266.02 g/mol
LogP-0.51
Rot. Bonds2

About 2-(1,3-diselenol-2-ylidene)propanedial

2-(1,3-diselenol-2-ylidene)propanedial (PubChem CID 11065363) has the molecular formula C6H4O2Se2 and a molecular weight of 266.02 g/mol. Its IUPAC name is 2-(1,3-diselenol-2-ylidene)propanedial.

Molecular Properties

Compound Name2-(1,3-diselenol-2-ylidene)propanedial
PubChem CID11065363
Molecular FormulaC6H4O2Se2
Molecular Weight266.02 g/mol
Exact Mass267.85
IUPAC Name2-(1,3-diselenol-2-ylidene)propanedial
SMILESO=CC(C=O)=C1[Se]C=C[Se]1
InChIInChI=1S/C6H4O2Se2/c7-3-5(4-8)6-9-1-2-10-6/h1-4H
InChIKeySYARMXNFBFBIHY-UHFFFAOYSA-N
XLogP-0.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diselenol-2-ylidene)propanedial?
The IUPAC name of 2-(1,3-diselenol-2-ylidene)propanedial (CID 11065363) is 2-(1,3-diselenol-2-ylidene)propanedial.
What is the SMILES notation for 2-(1,3-diselenol-2-ylidene)propanedial?
The canonical SMILES for 2-(1,3-diselenol-2-ylidene)propanedial is O=CC(C=O)=C1[Se]C=C[Se]1.
What is the InChIKey of 2-(1,3-diselenol-2-ylidene)propanedial?
The InChIKey is SYARMXNFBFBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2Se2/c7-3-5(4-8)6-9-1-2-10-6/h1-4H.
What are the key properties of 2-(1,3-diselenol-2-ylidene)propanedial?
2-(1,3-diselenol-2-ylidene)propanedial has a molecular weight of 266.02 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diselenol-2-ylidene)propanedial is sourced from PubChem (CID 11065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).