phenyl N-phenyldiazenylcarbamate

C13H11N3O2 — CID 137286492

IUPACphenyl N-phenyldiazenylcarbamate
SMILESO=C(N/N=N/c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H11N3O2/c17-13(18-12-9-5-2-6-10-12)15-16-14-11-7-3-1-4-8-11/h1-10H,(H,14,15,17)
InChIKeySKDORAYHFMWECY-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.47
Rot. Bonds3

About phenyl N-phenyldiazenylcarbamate

phenyl N-phenyldiazenylcarbamate (PubChem CID 137286492) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is phenyl N-phenyldiazenylcarbamate.

Molecular Properties

Compound Namephenyl N-phenyldiazenylcarbamate
PubChem CID137286492
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Namephenyl N-phenyldiazenylcarbamate
SMILESO=C(N/N=N/c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H11N3O2/c17-13(18-12-9-5-2-6-10-12)15-16-14-11-7-3-1-4-8-11/h1-10H,(H,14,15,17)
InChIKeySKDORAYHFMWECY-UHFFFAOYSA-N
XLogP3.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
CID 126010634
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
diphenyldiazene;urea
CID 175083568
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140

Frequently Asked Questions

What is the IUPAC name of phenyl N-phenyldiazenylcarbamate?
The IUPAC name of phenyl N-phenyldiazenylcarbamate (CID 137286492) is phenyl N-phenyldiazenylcarbamate.
What is the SMILES notation for phenyl N-phenyldiazenylcarbamate?
The canonical SMILES for phenyl N-phenyldiazenylcarbamate is O=C(N/N=N/c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-phenyldiazenylcarbamate?
The InChIKey is SKDORAYHFMWECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(18-12-9-5-2-6-10-12)15-16-14-11-7-3-1-4-8-11/h1-10H,(H,14,15,17).
What are the key properties of phenyl N-phenyldiazenylcarbamate?
phenyl N-phenyldiazenylcarbamate has a molecular weight of 241.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-phenyldiazenylcarbamate is sourced from PubChem (CID 137286492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).