benzyl N-(4-selenocyanatophenyl)carbamate

C15H12N2O2Se — CID 118729595

IUPACbenzyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2Se/c16-11-20-14-8-6-13(7-9-14)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)
InChIKeyWYOIBDNRJDQNOH-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.25
Rot. Bonds4

About benzyl N-(4-selenocyanatophenyl)carbamate

benzyl N-(4-selenocyanatophenyl)carbamate (PubChem CID 118729595) has the molecular formula C15H12N2O2Se and a molecular weight of 331.23 g/mol. Its IUPAC name is benzyl N-(4-selenocyanatophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-selenocyanatophenyl)carbamate
PubChem CID118729595
Molecular FormulaC15H12N2O2Se
Molecular Weight331.23 g/mol
Exact Mass332.01
IUPAC Namebenzyl N-(4-selenocyanatophenyl)carbamate
SMILESN#C[Se]c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12N2O2Se/c16-11-20-14-8-6-13(7-9-14)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18)
InChIKeyWYOIBDNRJDQNOH-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl N-(4-selenocyanatophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-selenocyanatophenyl)carbamate?
The IUPAC name of benzyl N-(4-selenocyanatophenyl)carbamate (CID 118729595) is benzyl N-(4-selenocyanatophenyl)carbamate.
What is the SMILES notation for benzyl N-(4-selenocyanatophenyl)carbamate?
The canonical SMILES for benzyl N-(4-selenocyanatophenyl)carbamate is N#C[Se]c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-selenocyanatophenyl)carbamate?
The InChIKey is WYOIBDNRJDQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2Se/c16-11-20-14-8-6-13(7-9-14)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18).
What are the key properties of benzyl N-(4-selenocyanatophenyl)carbamate?
benzyl N-(4-selenocyanatophenyl)carbamate has a molecular weight of 331.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-selenocyanatophenyl)carbamate is sourced from PubChem (CID 118729595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).