(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine

C13H12N2O — CID 10584650

IUPAC(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeyZWVKGGTXEWXQCN-GXDHUFHOSA-N
MW212.25 g/mol
LogP3.24
Rot. Bonds3

About (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine

(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine (PubChem CID 10584650) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine
PubChem CID10584650
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C13H12N2O/c16-14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
InChIKeyZWVKGGTXEWXQCN-GXDHUFHOSA-N
XLogP3.24
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine (CID 10584650) is (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine is O/N=C/c1ccccc1Nc1ccccc1.
What is the InChIKey of (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine?
The InChIKey is ZWVKGGTXEWXQCN-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12N2O/c16-14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+.
What are the key properties of (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine?
(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine has a molecular weight of 212.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 10584650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).