Se-(furan-2-carbonyl) furan-2-carboselenoate

C10H6O4Se — CID 10967528

IUPACSe-(furan-2-carbonyl) furan-2-carboselenoate
SMILESO=C([Se]C(=O)c1ccco1)c1ccco1
InChIInChI=1S/C10H6O4Se/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8/h1-6H
InChIKeyTXRHUDTYVSBMRX-UHFFFAOYSA-N
MW269.11 g/mol
LogP1.56
Rot. Bonds4

About Se-(furan-2-carbonyl) furan-2-carboselenoate

Se-(furan-2-carbonyl) furan-2-carboselenoate (PubChem CID 10967528) has the molecular formula C10H6O4Se and a molecular weight of 269.11 g/mol. Its IUPAC name is Se-(furan-2-carbonyl) furan-2-carboselenoate.

Molecular Properties

Compound NameSe-(furan-2-carbonyl) furan-2-carboselenoate
PubChem CID10967528
Molecular FormulaC10H6O4Se
Molecular Weight269.11 g/mol
Exact Mass269.94
IUPAC NameSe-(furan-2-carbonyl) furan-2-carboselenoate
SMILESO=C([Se]C(=O)c1ccco1)c1ccco1
InChIInChI=1S/C10H6O4Se/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8/h1-6H
InChIKeyTXRHUDTYVSBMRX-UHFFFAOYSA-N
XLogP1.56
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
cesium furan-2-carboxylate
CID 140900702
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
sodium furan-2-carboxylate
CID 19205589
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
furan-2-carboxylic acid;methanol
CID 70611195

Frequently Asked Questions

What is the IUPAC name of Se-(furan-2-carbonyl) furan-2-carboselenoate?
The IUPAC name of Se-(furan-2-carbonyl) furan-2-carboselenoate (CID 10967528) is Se-(furan-2-carbonyl) furan-2-carboselenoate.
What is the SMILES notation for Se-(furan-2-carbonyl) furan-2-carboselenoate?
The canonical SMILES for Se-(furan-2-carbonyl) furan-2-carboselenoate is O=C([Se]C(=O)c1ccco1)c1ccco1.
What is the InChIKey of Se-(furan-2-carbonyl) furan-2-carboselenoate?
The InChIKey is TXRHUDTYVSBMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4Se/c11-9(7-3-1-5-13-7)15-10(12)8-4-2-6-14-8/h1-6H.
What are the key properties of Se-(furan-2-carbonyl) furan-2-carboselenoate?
Se-(furan-2-carbonyl) furan-2-carboselenoate has a molecular weight of 269.11 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(furan-2-carbonyl) furan-2-carboselenoate is sourced from PubChem (CID 10967528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).