2-[(2-nitrosophenyl)methylideneamino]aniline

C13H11N3O — CID 59799408

IUPAC2-[(2-nitrosophenyl)methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccccc1N=O
InChIInChI=1S/C13H11N3O/c14-11-6-2-4-8-13(11)15-9-10-5-1-3-7-12(10)16-17/h1-9H,14H2/b15-9+
InChIKeyIALUGEVBZCPKCW-OQLLNIDSSA-N
MW225.25 g/mol
LogP3.42
Rot. Bonds3

About 2-[(2-nitrosophenyl)methylideneamino]aniline

2-[(2-nitrosophenyl)methylideneamino]aniline (PubChem CID 59799408) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(2-nitrosophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-[(2-nitrosophenyl)methylideneamino]aniline
PubChem CID59799408
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[(2-nitrosophenyl)methylideneamino]aniline
SMILESNc1ccccc1/N=C/c1ccccc1N=O
InChIInChI=1S/C13H11N3O/c14-11-6-2-4-8-13(11)15-9-10-5-1-3-7-12(10)16-17/h1-9H,14H2/b15-9+
InChIKeyIALUGEVBZCPKCW-OQLLNIDSSA-N
XLogP3.42
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrosophenyl)methylideneamino]aniline?
The IUPAC name of 2-[(2-nitrosophenyl)methylideneamino]aniline (CID 59799408) is 2-[(2-nitrosophenyl)methylideneamino]aniline.
What is the SMILES notation for 2-[(2-nitrosophenyl)methylideneamino]aniline?
The canonical SMILES for 2-[(2-nitrosophenyl)methylideneamino]aniline is Nc1ccccc1/N=C/c1ccccc1N=O.
What is the InChIKey of 2-[(2-nitrosophenyl)methylideneamino]aniline?
The InChIKey is IALUGEVBZCPKCW-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N3O/c14-11-6-2-4-8-13(11)15-9-10-5-1-3-7-12(10)16-17/h1-9H,14H2/b15-9+.
What are the key properties of 2-[(2-nitrosophenyl)methylideneamino]aniline?
2-[(2-nitrosophenyl)methylideneamino]aniline has a molecular weight of 225.25 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrosophenyl)methylideneamino]aniline is sourced from PubChem (CID 59799408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).