anilino-oxo-phenylazanium

C12H11N2O+ — CID 6395729

IUPACanilino-oxo-phenylazanium
SMILESO=[N+](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H,(H,13,15)/q+1
InChIKeyCUHUQJIEZRIINV-UHFFFAOYSA-N
MW199.23 g/mol
LogP3.12
Rot. Bonds3

About anilino-oxo-phenylazanium

anilino-oxo-phenylazanium (PubChem CID 6395729) has the molecular formula C12H11N2O+ and a molecular weight of 199.23 g/mol. Its IUPAC name is anilino-oxo-phenylazanium.

Molecular Properties

Compound Nameanilino-oxo-phenylazanium
PubChem CID6395729
Molecular FormulaC12H11N2O+
Molecular Weight199.23 g/mol
Exact Mass199.09
IUPAC Nameanilino-oxo-phenylazanium
SMILESO=[N+](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H,(H,13,15)/q+1
InChIKeyCUHUQJIEZRIINV-UHFFFAOYSA-N
XLogP3.12
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anilino-oxo-phenylazanium?
The IUPAC name of anilino-oxo-phenylazanium (CID 6395729) is anilino-oxo-phenylazanium.
What is the SMILES notation for anilino-oxo-phenylazanium?
The canonical SMILES for anilino-oxo-phenylazanium is O=[N+](Nc1ccccc1)c1ccccc1.
What is the InChIKey of anilino-oxo-phenylazanium?
The InChIKey is CUHUQJIEZRIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H,(H,13,15)/q+1.
What are the key properties of anilino-oxo-phenylazanium?
anilino-oxo-phenylazanium has a molecular weight of 199.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-oxo-phenylazanium is sourced from PubChem (CID 6395729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).