N-(2-amino-1-phenylethylidene)hydroxylamine

C8H10N2O — CID 53397819

IUPACN-(2-amino-1-phenylethylidene)hydroxylamine
SMILESNCC(=NO)c1ccccc1
InChIInChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6,9H2
InChIKeyDUUBUZSEBKJTJH-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.82
Rot. Bonds2

About N-(2-amino-1-phenylethylidene)hydroxylamine

N-(2-amino-1-phenylethylidene)hydroxylamine (PubChem CID 53397819) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(2-amino-1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-amino-1-phenylethylidene)hydroxylamine
PubChem CID53397819
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(2-amino-1-phenylethylidene)hydroxylamine
SMILESNCC(=NO)c1ccccc1
InChIInChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6,9H2
InChIKeyDUUBUZSEBKJTJH-UHFFFAOYSA-N
XLogP0.82
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.82
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'}

Analyze N-(2-amino-1-phenylethylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethylidene)hydroxylamine?
The IUPAC name of N-(2-amino-1-phenylethylidene)hydroxylamine (CID 53397819) is N-(2-amino-1-phenylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-amino-1-phenylethylidene)hydroxylamine?
The canonical SMILES for N-(2-amino-1-phenylethylidene)hydroxylamine is NCC(=NO)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethylidene)hydroxylamine?
The InChIKey is DUUBUZSEBKJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6,9H2.
What are the key properties of N-(2-amino-1-phenylethylidene)hydroxylamine?
N-(2-amino-1-phenylethylidene)hydroxylamine has a molecular weight of 150.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 53397819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).