benzyl N-phenyliminocarbamate

C14H12N2O2 — CID 57099544

IUPACbenzyl N-phenyliminocarbamate
SMILESO=C(/N=N/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-15+
InChIKeyLYYDSZIMTHICET-FOCLMDBBSA-N
MW240.26 g/mol
LogP4.11
Rot. Bonds3

About benzyl N-phenyliminocarbamate

benzyl N-phenyliminocarbamate (PubChem CID 57099544) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is benzyl N-phenyliminocarbamate.

Molecular Properties

Compound Namebenzyl N-phenyliminocarbamate
PubChem CID57099544
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namebenzyl N-phenyliminocarbamate
SMILESO=C(/N=N/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-15+
InChIKeyLYYDSZIMTHICET-FOCLMDBBSA-N
XLogP4.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-phenyliminocarbamate?
The IUPAC name of benzyl N-phenyliminocarbamate (CID 57099544) is benzyl N-phenyliminocarbamate.
What is the SMILES notation for benzyl N-phenyliminocarbamate?
The canonical SMILES for benzyl N-phenyliminocarbamate is O=C(/N=N/c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-phenyliminocarbamate?
The InChIKey is LYYDSZIMTHICET-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-15+.
What are the key properties of benzyl N-phenyliminocarbamate?
benzyl N-phenyliminocarbamate has a molecular weight of 240.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-phenyliminocarbamate is sourced from PubChem (CID 57099544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).