3-methylselenan-2-one

C6H10OSe — CID 102392292

IUPAC3-methylselenan-2-one
SMILESCC1CCC[Se]C1=O
InChIInChI=1S/C6H10OSe/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3
InChIKeyFEIQFEOIKQQSIX-UHFFFAOYSA-N
MW177.10 g/mol
LogP1.07
Rot. Bonds

About 3-methylselenan-2-one

3-methylselenan-2-one (PubChem CID 102392292) has the molecular formula C6H10OSe and a molecular weight of 177.10 g/mol. Its IUPAC name is 3-methylselenan-2-one.

Molecular Properties

Compound Name3-methylselenan-2-one
PubChem CID102392292
Molecular FormulaC6H10OSe
Molecular Weight177.10 g/mol
Exact Mass177.99
IUPAC Name3-methylselenan-2-one
SMILESCC1CCC[Se]C1=O
InChIInChI=1S/C6H10OSe/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3
InChIKeyFEIQFEOIKQQSIX-UHFFFAOYSA-N
XLogP1.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.10
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methylselenan-2-one?
The IUPAC name of 3-methylselenan-2-one (CID 102392292) is 3-methylselenan-2-one.
What is the SMILES notation for 3-methylselenan-2-one?
The canonical SMILES for 3-methylselenan-2-one is CC1CCC[Se]C1=O.
What is the InChIKey of 3-methylselenan-2-one?
The InChIKey is FEIQFEOIKQQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OSe/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3.
What are the key properties of 3-methylselenan-2-one?
3-methylselenan-2-one has a molecular weight of 177.10 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylselenan-2-one is sourced from PubChem (CID 102392292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).