phenyl N-(4-selenocyanatophenyl)carbamate

C14H10N2O2Se — CID 118729590

IUPACphenyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H10N2O2Se/c15-10-19-13-8-6-11(7-9-13)16-14(17)18-12-4-2-1-3-5-12/h1-9H,(H,16,17)
InChIKeyRHROLDAHFIGUCT-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.11
Rot. Bonds3

About phenyl N-(4-selenocyanatophenyl)carbamate

phenyl N-(4-selenocyanatophenyl)carbamate (PubChem CID 118729590) has the molecular formula C14H10N2O2Se and a molecular weight of 317.21 g/mol. Its IUPAC name is phenyl N-(4-selenocyanatophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-selenocyanatophenyl)carbamate
PubChem CID118729590
Molecular FormulaC14H10N2O2Se
Molecular Weight317.21 g/mol
Exact Mass317.99
IUPAC Namephenyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H10N2O2Se/c15-10-19-13-8-6-11(7-9-13)16-14(17)18-12-4-2-1-3-5-12/h1-9H,(H,16,17)
InChIKeyRHROLDAHFIGUCT-UHFFFAOYSA-N
XLogP2.11
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 phenyl N-(4-selenocyanatophenyl)carbamate?
The IUPAC name of phenyl N-(4-selenocyanatophenyl)carbamate (CID 118729590) is phenyl N-(4-selenocyanatophenyl)carbamate.
What is the SMILES notation for phenyl N-(4-selenocyanatophenyl)carbamate?
The canonical SMILES for phenyl N-(4-selenocyanatophenyl)carbamate is N#C[Se]c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-selenocyanatophenyl)carbamate?
The InChIKey is RHROLDAHFIGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2Se/c15-10-19-13-8-6-11(7-9-13)16-14(17)18-12-4-2-1-3-5-12/h1-9H,(H,16,17).
What are the key properties of phenyl N-(4-selenocyanatophenyl)carbamate?
phenyl N-(4-selenocyanatophenyl)carbamate has a molecular weight of 317.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-selenocyanatophenyl)carbamate is sourced from PubChem (CID 118729590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).