3-selanylidenequinolin-2-one

C9H5NOSe — CID 154492779

IUPAC3-selanylidenequinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=[Se]
InChIInChI=1S/C9H5NOSe/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyMSDHKHWQPDGZEW-UHFFFAOYSA-N
MW222.11 g/mol
LogP-1.03
Rot. Bonds

About 3-selanylidenequinolin-2-one

3-selanylidenequinolin-2-one (PubChem CID 154492779) has the molecular formula C9H5NOSe and a molecular weight of 222.11 g/mol. Its IUPAC name is 3-selanylidenequinolin-2-one.

Molecular Properties

Compound Name3-selanylidenequinolin-2-one
PubChem CID154492779
Molecular FormulaC9H5NOSe
Molecular Weight222.11 g/mol
Exact Mass222.95
IUPAC Name3-selanylidenequinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=[Se]
InChIInChI=1S/C9H5NOSe/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyMSDHKHWQPDGZEW-UHFFFAOYSA-N
XLogP-1.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 5-1.03
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-selanylidenequinolin-2-one?
The IUPAC name of 3-selanylidenequinolin-2-one (CID 154492779) is 3-selanylidenequinolin-2-one.
What is the SMILES notation for 3-selanylidenequinolin-2-one?
The canonical SMILES for 3-selanylidenequinolin-2-one is O=C1N=c2ccccc2=CC1=[Se].
What is the InChIKey of 3-selanylidenequinolin-2-one?
The InChIKey is MSDHKHWQPDGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NOSe/c11-9-8(12)5-6-3-1-2-4-7(6)10-9/h1-5H.
What are the key properties of 3-selanylidenequinolin-2-one?
3-selanylidenequinolin-2-one has a molecular weight of 222.11 g/mol, XLogP of -1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-selanylidenequinolin-2-one is sourced from PubChem (CID 154492779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).