3-Formyl-2-(1h)quinolineselenone

C10H6NOSe — CID 15691749

IUPAC—
SMILESO=Cc1cc2ccccc2nc1[Se]
InChIInChI=1S/C10H6NOSe/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H
InChIKeyQTGQEYSFHJQJEO-UHFFFAOYSA-N
MW235.12 g/mol
LogP0.84
Rot. Bonds1

About 3-Formyl-2-(1h)quinolineselenone

3-Formyl-2-(1h)quinolineselenone (PubChem CID 15691749) has the molecular formula C10H6NOSe and a molecular weight of 235.12 g/mol.

Molecular Properties

Compound Name3-Formyl-2-(1h)quinolineselenone
PubChem CID15691749
Molecular FormulaC10H6NOSe
Molecular Weight235.12 g/mol
Exact Mass235.96
IUPAC Name—
SMILESO=Cc1cc2ccccc2nc1[Se]
InChIInChI=1S/C10H6NOSe/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H
InChIKeyQTGQEYSFHJQJEO-UHFFFAOYSA-N
XLogP0.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-Formyl-2-(1h)quinolineselenone?
The IUPAC name of 3-Formyl-2-(1h)quinolineselenone (CID 15691749) is not available.
What is the SMILES notation for 3-Formyl-2-(1h)quinolineselenone?
The canonical SMILES for 3-Formyl-2-(1h)quinolineselenone is O=Cc1cc2ccccc2nc1[Se].
What is the InChIKey of 3-Formyl-2-(1h)quinolineselenone?
The InChIKey is QTGQEYSFHJQJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6NOSe/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H.
What are the key properties of 3-Formyl-2-(1h)quinolineselenone?
3-Formyl-2-(1h)quinolineselenone has a molecular weight of 235.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Formyl-2-(1h)quinolineselenone is sourced from PubChem (CID 15691749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).