N-(2-nitroethyl)hydroxylamine

C2H6N2O3 — CID 10441659

IUPACN-(2-nitroethyl)hydroxylamine
SMILESO=[N+]([O-])CCNO
InChIInChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h3,5H,1-2H2
InChIKeyULCJEHSGINEHHV-UHFFFAOYSA-N
MW106.08 g/mol
LogP-0.76
Rot. Bonds3

About N-(2-nitroethyl)hydroxylamine

N-(2-nitroethyl)hydroxylamine (PubChem CID 10441659) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is N-(2-nitroethyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-nitroethyl)hydroxylamine
PubChem CID10441659
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC NameN-(2-nitroethyl)hydroxylamine
SMILESO=[N+]([O-])CCNO
InChIInChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h3,5H,1-2H2
InChIKeyULCJEHSGINEHHV-UHFFFAOYSA-N
XLogP-0.76
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-fluoro-N-nitroethylamine
CID 129811386
2,2-Dinitroethane-1,1-diamine
CID 10130041
2-Nitroethanamine
CID 11378445
Nitric acid--ethane-1,2-diamine (1/1)
CID 12200828
2,2-Dinitroethan-1-amine
CID 15180700
Tris(hydroxyl)ethylenediamine
CID 19817354
Nitroxy ethylamine
CID 54386330
Dihydroglyoxime
CID 129831359
N-(3-nitropropyl)hydroxylamine
CID 10396830
1,1-Dinitroethane-1,2-diamine
CID 17939508
N~1~,N~1~-Dihydroxyethane-1,2-diamine
CID 18386450
Ethylamino nitrite
CID 22320949

Frequently Asked Questions

What is the IUPAC name of N-(2-nitroethyl)hydroxylamine?
The IUPAC name of N-(2-nitroethyl)hydroxylamine (CID 10441659) is N-(2-nitroethyl)hydroxylamine.
What is the SMILES notation for N-(2-nitroethyl)hydroxylamine?
The canonical SMILES for N-(2-nitroethyl)hydroxylamine is O=[N+]([O-])CCNO.
What is the InChIKey of N-(2-nitroethyl)hydroxylamine?
The InChIKey is ULCJEHSGINEHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3/c5-3-1-2-4(6)7/h3,5H,1-2H2.
What are the key properties of N-(2-nitroethyl)hydroxylamine?
N-(2-nitroethyl)hydroxylamine has a molecular weight of 106.08 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitroethyl)hydroxylamine is sourced from PubChem (CID 10441659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).