1-methylseleninylethanone

C3H6O2Se — CID 59573557

IUPAC1-methylseleninylethanone
SMILESCC(=O)[Se](C)=O
InChIInChI=1S/C3H6O2Se/c1-3(4)6(2)5/h1-2H3
InChIKeyDCXMHJTYWJXUIN-UHFFFAOYSA-N
MW153.04 g/mol
LogP0.17
Rot. Bonds1

About 1-methylseleninylethanone

1-methylseleninylethanone (PubChem CID 59573557) has the molecular formula C3H6O2Se and a molecular weight of 153.04 g/mol. Its IUPAC name is 1-methylseleninylethanone.

Molecular Properties

Compound Name1-methylseleninylethanone
PubChem CID59573557
Molecular FormulaC3H6O2Se
Molecular Weight153.04 g/mol
Exact Mass153.95
IUPAC Name1-methylseleninylethanone
SMILESCC(=O)[Se](C)=O
InChIInChI=1S/C3H6O2Se/c1-3(4)6(2)5/h1-2H3
InChIKeyDCXMHJTYWJXUIN-UHFFFAOYSA-N
XLogP0.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.04
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylseleninylethanone?
The IUPAC name of 1-methylseleninylethanone (CID 59573557) is 1-methylseleninylethanone.
What is the SMILES notation for 1-methylseleninylethanone?
The canonical SMILES for 1-methylseleninylethanone is CC(=O)[Se](C)=O.
What is the InChIKey of 1-methylseleninylethanone?
The InChIKey is DCXMHJTYWJXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2Se/c1-3(4)6(2)5/h1-2H3.
What are the key properties of 1-methylseleninylethanone?
1-methylseleninylethanone has a molecular weight of 153.04 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylseleninylethanone is sourced from PubChem (CID 59573557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).