(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine

C9H10N2O2 — CID 135434846

IUPAC(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H10N2O2/c1-7(10-12)9(11-13)8-5-3-2-4-6-8/h2-6,12-13H,1H3/b10-7+,11-9-
InChIKeyOHOFOAMRUFMQPH-BDFJVSTISA-N
MW178.19 g/mol
LogP1.72
Rot. Bonds2

About (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine

(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine (PubChem CID 135434846) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine
PubChem CID135434846
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N/O)c1ccccc1
InChIInChI=1S/C9H10N2O2/c1-7(10-12)9(11-13)8-5-3-2-4-6-8/h2-6,12-13H,1H3/b10-7+,11-9-
InChIKeyOHOFOAMRUFMQPH-BDFJVSTISA-N
XLogP1.72
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]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 (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine (CID 135434846) is (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine is CC(=N\O)/C(=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine?
The InChIKey is OHOFOAMRUFMQPH-BDFJVSTISA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(10-12)9(11-13)8-5-3-2-4-6-8/h2-6,12-13H,1H3/b10-7+,11-9-.
What are the key properties of (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine?
(NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine has a molecular weight of 178.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135434846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).