phenyl (NE)-N-phenoxycarbonyliminocarbamate

C14H10N2O4 — CID 5381145

IUPACphenyl (NE)-N-phenoxycarbonyliminocarbamate
SMILESO=C(/N=N/C(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H/b16-15+
InChIKeyWDZOPGZTGVJDMZ-FOCLMDBBSA-N
MW270.24 g/mol
LogP3.84
Rot. Bonds2

About phenyl (NE)-N-phenoxycarbonyliminocarbamate

phenyl (NE)-N-phenoxycarbonyliminocarbamate (PubChem CID 5381145) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is phenyl (NE)-N-phenoxycarbonyliminocarbamate.

Molecular Properties

Compound Namephenyl (NE)-N-phenoxycarbonyliminocarbamate
PubChem CID5381145
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Namephenyl (NE)-N-phenoxycarbonyliminocarbamate
SMILESO=C(/N=N/C(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H/b16-15+
InChIKeyWDZOPGZTGVJDMZ-FOCLMDBBSA-N
XLogP3.84
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 phenyl (NE)-N-phenoxycarbonyliminocarbamate?
The IUPAC name of phenyl (NE)-N-phenoxycarbonyliminocarbamate (CID 5381145) is phenyl (NE)-N-phenoxycarbonyliminocarbamate.
What is the SMILES notation for phenyl (NE)-N-phenoxycarbonyliminocarbamate?
The canonical SMILES for phenyl (NE)-N-phenoxycarbonyliminocarbamate is O=C(/N=N/C(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl (NE)-N-phenoxycarbonyliminocarbamate?
The InChIKey is WDZOPGZTGVJDMZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H/b16-15+.
What are the key properties of phenyl (NE)-N-phenoxycarbonyliminocarbamate?
phenyl (NE)-N-phenoxycarbonyliminocarbamate has a molecular weight of 270.24 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (NE)-N-phenoxycarbonyliminocarbamate is sourced from PubChem (CID 5381145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).