naphthalen-2-ylmethyl selenocyanate

C12H9NSe — CID 56677260

IUPACnaphthalen-2-ylmethyl selenocyanate
SMILESN#C[Se]Cc1ccc2ccccc2c1
InChIInChI=1S/C12H9NSe/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8H2
InChIKeyOPULDHYVQFQECN-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.53
Rot. Bonds2

About naphthalen-2-ylmethyl selenocyanate

naphthalen-2-ylmethyl selenocyanate (PubChem CID 56677260) has the molecular formula C12H9NSe and a molecular weight of 246.17 g/mol. Its IUPAC name is naphthalen-2-ylmethyl selenocyanate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl selenocyanate
PubChem CID56677260
Molecular FormulaC12H9NSe
Molecular Weight246.17 g/mol
Exact Mass246.99
IUPAC Namenaphthalen-2-ylmethyl selenocyanate
SMILESN#C[Se]Cc1ccc2ccccc2c1
InChIInChI=1S/C12H9NSe/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8H2
InChIKeyOPULDHYVQFQECN-UHFFFAOYSA-N
XLogP2.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.53
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 naphthalen-2-ylmethyl selenocyanate?
The IUPAC name of naphthalen-2-ylmethyl selenocyanate (CID 56677260) is naphthalen-2-ylmethyl selenocyanate.
What is the SMILES notation for naphthalen-2-ylmethyl selenocyanate?
The canonical SMILES for naphthalen-2-ylmethyl selenocyanate is N#C[Se]Cc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylmethyl selenocyanate?
The InChIKey is OPULDHYVQFQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NSe/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8H2.
What are the key properties of naphthalen-2-ylmethyl selenocyanate?
naphthalen-2-ylmethyl selenocyanate has a molecular weight of 246.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl selenocyanate is sourced from PubChem (CID 56677260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).