O-[nitro(phenyl)methyl]hydroxylamine

C7H8N2O3 — CID 18508857

IUPACO-[nitro(phenyl)methyl]hydroxylamine
SMILESNOC(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c8-12-7(9(10)11)6-4-2-1-3-5-6/h1-5,7H,8H2
InChIKeyYVORNFQAVWHLBJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.85
Rot. Bonds3

About O-[nitro(phenyl)methyl]hydroxylamine

O-[nitro(phenyl)methyl]hydroxylamine (PubChem CID 18508857) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is O-[nitro(phenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[nitro(phenyl)methyl]hydroxylamine
PubChem CID18508857
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameO-[nitro(phenyl)methyl]hydroxylamine
SMILESNOC(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c8-12-7(9(10)11)6-4-2-1-3-5-6/h1-5,7H,8H2
InChIKeyYVORNFQAVWHLBJ-UHFFFAOYSA-N
XLogP0.85
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[nitro(phenyl)methyl]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

[hydroperoxy(nitro)methyl]benzene
CID 22662120
[nitro(phenyl)methyl] benzoate
CID 87645389
nitro(phenyl)methanamine
CID 174706034
[nitro(phenyl)methyl] prop-2-enyl carbonate
CID 87148469
(2-nitro-1-phenylethyl)benzene
CID 11521460
benzene;nitro(phenyl)methanol
CID 174698323
[nitro(phenyl)methyl] 2-acetyl-3-methoxybutanoate
CID 175062353
nitro (2R)-2-hydroxy-2-phenylacetate
CID 174469907
(1S,2S)-1-nitro-2-phenylethane-1,2-diol
CID 101193142
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
nitro 2-phenylbutanoate
CID 69413805
2-amino-3-nitro-3-phenylpropanoic acid
CID 10954802

Frequently Asked Questions

What is the IUPAC name of O-[nitro(phenyl)methyl]hydroxylamine?
The IUPAC name of O-[nitro(phenyl)methyl]hydroxylamine (CID 18508857) is O-[nitro(phenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[nitro(phenyl)methyl]hydroxylamine?
The canonical SMILES for O-[nitro(phenyl)methyl]hydroxylamine is NOC(c1ccccc1)[N+](=O)[O-].
What is the InChIKey of O-[nitro(phenyl)methyl]hydroxylamine?
The InChIKey is YVORNFQAVWHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-12-7(9(10)11)6-4-2-1-3-5-6/h1-5,7H,8H2.
What are the key properties of O-[nitro(phenyl)methyl]hydroxylamine?
O-[nitro(phenyl)methyl]hydroxylamine has a molecular weight of 168.15 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[nitro(phenyl)methyl]hydroxylamine is sourced from PubChem (CID 18508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).