[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium

C8H9N4O2+ — CID 131953486

IUPAC[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccccc1COC(N)=O
InChIInChI=1S/C8H8N4O2/c9-8(13)14-5-6-3-1-2-4-7(6)11-12-10/h1-4,10H,5H2,(H-,9,13)/p+1
InChIKeyCYUMUXVAYIKLQZ-UHFFFAOYSA-O
MW193.19 g/mol
LogP1.46
Rot. Bonds3

About [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium

[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium (PubChem CID 131953486) has the molecular formula C8H9N4O2+ and a molecular weight of 193.19 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium
PubChem CID131953486
Molecular FormulaC8H9N4O2+
Molecular Weight193.19 g/mol
Exact Mass193.07
IUPAC Name[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccccc1COC(N)=O
InChIInChI=1S/C8H8N4O2/c9-8(13)14-5-6-3-1-2-4-7(6)11-12-10/h1-4,10H,5H2,(H-,9,13)/p+1
InChIKeyCYUMUXVAYIKLQZ-UHFFFAOYSA-O
XLogP1.46
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium?
The IUPAC name of [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium (CID 131953486) is [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium.
What is the SMILES notation for [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium?
The canonical SMILES for [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium is N=[N+]=Nc1ccccc1COC(N)=O.
What is the InChIKey of [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium?
The InChIKey is CYUMUXVAYIKLQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N4O2/c9-8(13)14-5-6-3-1-2-4-7(6)11-12-10/h1-4,10H,5H2,(H-,9,13)/p+1.
What are the key properties of [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium?
[2-(carbamoyloxymethyl)phenyl]imino-iminoazanium has a molecular weight of 193.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)phenyl]imino-iminoazanium is sourced from PubChem (CID 131953486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).