1-isoselenocyanatonaphthalene

C11H7NSe — CID 102253282

IUPAC1-isoselenocyanatonaphthalene
SMILES[Se]=C=Nc1cccc2ccccc12
InChIInChI=1S/C11H7NSe/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKeyFWKVEXDYBLQIID-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.55
Rot. Bonds1

About 1-isoselenocyanatonaphthalene

1-isoselenocyanatonaphthalene (PubChem CID 102253282) has the molecular formula C11H7NSe and a molecular weight of 232.14 g/mol. Its IUPAC name is 1-isoselenocyanatonaphthalene.

Molecular Properties

Compound Name1-isoselenocyanatonaphthalene
PubChem CID102253282
Molecular FormulaC11H7NSe
Molecular Weight232.14 g/mol
Exact Mass232.97
IUPAC Name1-isoselenocyanatonaphthalene
SMILES[Se]=C=Nc1cccc2ccccc12
InChIInChI=1S/C11H7NSe/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKeyFWKVEXDYBLQIID-UHFFFAOYSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-isoselenocyanatonaphthalene?
The IUPAC name of 1-isoselenocyanatonaphthalene (CID 102253282) is 1-isoselenocyanatonaphthalene.
What is the SMILES notation for 1-isoselenocyanatonaphthalene?
The canonical SMILES for 1-isoselenocyanatonaphthalene is [Se]=C=Nc1cccc2ccccc12.
What is the InChIKey of 1-isoselenocyanatonaphthalene?
The InChIKey is FWKVEXDYBLQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NSe/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H.
What are the key properties of 1-isoselenocyanatonaphthalene?
1-isoselenocyanatonaphthalene has a molecular weight of 232.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoselenocyanatonaphthalene is sourced from PubChem (CID 102253282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).