N-(3-ethoxy-5-nitrophenyl)hydroxylamine

C8H10N2O4 — CID 130500571

IUPACN-(3-ethoxy-5-nitrophenyl)hydroxylamine
SMILESCCOc1cc(NO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O4/c1-2-14-8-4-6(9-11)3-7(5-8)10(12)13/h3-5,9,11H,2H2,1H3
InChIKeyNVWRMXOBKSWBBB-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.79
Rot. Bonds4

About N-(3-ethoxy-5-nitrophenyl)hydroxylamine

N-(3-ethoxy-5-nitrophenyl)hydroxylamine (PubChem CID 130500571) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(3-ethoxy-5-nitrophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethoxy-5-nitrophenyl)hydroxylamine
PubChem CID130500571
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC NameN-(3-ethoxy-5-nitrophenyl)hydroxylamine
SMILESCCOc1cc(NO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O4/c1-2-14-8-4-6(9-11)3-7(5-8)10(12)13/h3-5,9,11H,2H2,1H3
InChIKeyNVWRMXOBKSWBBB-UHFFFAOYSA-N
XLogP1.79
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-5-nitroanilino)butan-1-ol
CID 83186674
2-(3-ethoxy-5-nitroanilino)-2-methylpropanamide
CID 80724693
3-(3-ethoxy-5-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427662
2-N-(3-ethoxy-5-nitrophenyl)propane-1,2-diamine
CID 80742783
N'-(3-ethoxy-5-nitrophenyl)propane-1,3-diamine
CID 80737512
N-(3,3-dimethylbutan-2-yl)-3-ethoxy-5-nitroaniline
CID 104828781
1-(3-ethoxy-5-nitroanilino)-3-ethylpentan-2-ol
CID 106287569
2-(3-ethoxy-5-nitroanilino)-2-methylbutanoic acid
CID 80738123
2-[[2-(3-ethoxy-5-nitroanilino)acetyl]amino]acetic acid
CID 80742748
1-cyclopropyl-2-(3-ethoxy-5-nitroanilino)ethanol
CID 80724266
6-(3-ethoxy-5-nitroanilino)hexanoic acid
CID 80742738
N-(4,4-dimethylcyclohexyl)-3-ethoxy-5-nitroaniline
CID 80732628

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-5-nitrophenyl)hydroxylamine?
The IUPAC name of N-(3-ethoxy-5-nitrophenyl)hydroxylamine (CID 130500571) is N-(3-ethoxy-5-nitrophenyl)hydroxylamine.
What is the SMILES notation for N-(3-ethoxy-5-nitrophenyl)hydroxylamine?
The canonical SMILES for N-(3-ethoxy-5-nitrophenyl)hydroxylamine is CCOc1cc(NO)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-ethoxy-5-nitrophenyl)hydroxylamine?
The InChIKey is NVWRMXOBKSWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-14-8-4-6(9-11)3-7(5-8)10(12)13/h3-5,9,11H,2H2,1H3.
What are the key properties of N-(3-ethoxy-5-nitrophenyl)hydroxylamine?
N-(3-ethoxy-5-nitrophenyl)hydroxylamine has a molecular weight of 198.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-5-nitrophenyl)hydroxylamine is sourced from PubChem (CID 130500571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).