(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine

C7H6N2O3 — CID 5374046

IUPAC(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N/O)cc1
InChIInChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+
InChIKeyWTLPAVBACRIHHC-VMPITWQZSA-N
MW166.14 g/mol
LogP1.40
Rot. Bonds2

About (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine

(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine (PubChem CID 5374046) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
PubChem CID5374046
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C=N/O)cc1
InChIInChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+
InChIKeyWTLPAVBACRIHHC-VMPITWQZSA-N
XLogP1.40
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

4-Nitrotoluene
CID 7473
3-Nitro-N-(phenylmethylene)benzenamine
CID 21433
4-Nitrobenzylamine
CID 29147
1-nitro-4-[(E)-2-nitroethenyl]benzene
CID 5355016
4-Nitrobenzaldehyde hydrazone
CID 9561280
1-Ethenyl-4-nitrobenzene
CID 7481
alpha-Iodo-p-nitrotoluene
CID 76598
(4-Nitrobenzylidene)aniline
CID 136626
N-Benzylidene-4-nitroaniline
CID 144342
4-Nitrobenzamidine hydrochloride
CID 170625
4-Nitrobenzylammonium hydrochloride
CID 29146
p-Nitrobenzaldoxime
CID 96339

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine (CID 5374046) is (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine is O=[N+]([O-])c1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is WTLPAVBACRIHHC-VMPITWQZSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+.
What are the key properties of (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine?
(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 166.14 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5374046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).